
 MLS000587278

 54 56  0  0  0  0  0  0  0  0999 V2000
   11.5098    5.4542    1.1210 C   0  0  0  0  0
   10.5563    5.7441   -0.0295 C   0  0  0  0  0
   11.0516    5.1879   -1.2887 N   0  0  0  0  0
   11.8932    6.0281   -2.1402 C   0  0  0  0  0
   13.3789    5.7779   -1.9207 C   0  0  0  0  0
   10.8494    3.8791   -1.5902 C   0  0  0  0  0
   11.3618    3.0566   -2.5714 C   0  0  0  0  0
   10.8342    1.7682   -2.3445 C   0  0  0  0  0
    9.9721    1.8858   -1.2743 C   0  0  0  0  0
    9.9725    3.1691   -0.8164 O   0  0  0  0  0
    9.1348    0.9131   -0.6377 C   0  0  0  0  0
    9.4417   -0.3370   -0.7719 N   0  0  0  0  0
    8.5570   -1.2612   -0.3141 N   0  0  0  0  0
    8.8293   -2.6204   -0.4614 C   0  0  0  0  0
    7.8848   -3.4133   -0.4743 O   0  0  0  0  0
   10.3525   -3.0217   -0.5756 C   0  0  0  0  0
   10.5560   -4.5083   -0.2335 C   0  0  0  0  0
   10.4344   -5.5146   -1.2103 C   0  0  0  0  0
   10.5929   -6.8645   -0.8839 C   0  0  0  0  0
   10.8630   -7.2393    0.4283 C   0  0  0  0  0
   10.9724   -6.2649    1.4159 C   0  0  0  0  0
   10.8170   -4.9153    1.0892 C   0  0  0  0  0
   10.9975   -2.6193   -1.9188 C   0  0  0  0  0
   12.3558   -2.2446   -1.9679 C   0  0  0  0  0
   12.9535   -1.8460   -3.1648 C   0  0  0  0  0
   12.2119   -1.8374   -4.3418 C   0  0  0  0  0
   10.8751   -2.2299   -4.3229 C   0  0  0  0  0
   10.2711   -2.6174   -3.1232 C   0  0  0  0  0
   11.0178   -2.2394    0.4520 O   0  0  0  0  0
   11.0761    5.7937    2.0669 H   0  0  0  0  0
   12.4607    5.9778    0.9880 H   0  0  0  0  0
   11.7249    4.3843    1.2086 H   0  0  0  0  0
   10.4235    6.8289   -0.1197 H   0  0  0  0  0
    9.5617    5.3478    0.2086 H   0  0  0  0  0
   11.6829    7.0881   -1.9533 H   0  0  0  0  0
   11.6444    5.8604   -3.1957 H   0  0  0  0  0
   13.6825    6.0331   -0.9025 H   0  0  0  0  0
   13.9674    6.3933   -2.6085 H   0  0  0  0  0
   13.6504    4.7326   -2.0946 H   0  0  0  0  0
   12.0626    3.3409   -3.3414 H   0  0  0  0  0
   11.0303    0.8628   -2.9027 H   0  0  0  0  0
    8.2561    1.2597   -0.0673 H   0  0  0  0  0
    7.5752   -1.0158   -0.2248 H   0  0  0  0  0
   10.2093   -5.2647   -2.2437 H   0  0  0  0  0
   10.4983   -7.6220   -1.6574 H   0  0  0  0  0
   10.9818   -8.2887    0.6818 H   0  0  0  0  0
   11.1750   -6.5526    2.4438 H   0  0  0  0  0
   10.9010   -4.1759    1.8834 H   0  0  0  0  0
   12.9573   -2.2532   -1.0597 H   0  0  0  0  0
   13.9979   -1.5454   -3.1735 H   0  0  0  0  0
   12.6778   -1.5321   -5.2751 H   0  0  0  0  0
   10.2997   -2.2354   -5.2452 H   0  0  0  0  0
    9.2260   -2.9205   -3.1422 H   0  0  0  0  0
   10.7873   -1.3187    0.2093 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
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M  END

>  <Chemical Name>
MLS000587278

>  <PubChem CID>
6882968

>  <Formula>
C23H25N3O3

>  <Molecular Weight>
391.471000

>  <IUPAC Name>
N-[(E)-[5-(diethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)C1=CC=C(O1)C=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

>  <Isomeric SMILES>
CCN(CC)C1=CC=C(O1)/C=N/NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C23H25N3O3/c1-3-26(4-2)21-16-15-20(29-21)17-24-25-22(27)23(28,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,28H,3-4H2,1-2H3,(H,25,27)/b24-17+

>  <InChI Key>
AJFXAKTZPJLPHS-JJIBRWJFSA-N

