
 BDBM50359429

 48 50  0  0  0  0  0  0  0  0999 V2000
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    0.9984   -0.5330   -2.1004 C   0  0  0  0  0
   -0.2819   -0.0487   -2.3699 C   0  0  0  0  0
   -1.2599   -0.4150   -1.4853 O   0  0  0  0  0
   -2.5002    0.3070   -1.6004 C   0  0  0  0  0
   -3.5387   -0.4544   -0.7489 C   0  0  0  0  0
   -4.8437    0.2160   -0.6990 N   0  0  0  0  0
   -5.7993   -0.5515    0.0998 C   0  0  0  0  0
   -7.1673    0.1378    0.1316 C   0  0  0  0  0
   -7.8371    0.2017   -1.2450 C   0  0  0  0  0
   -9.2161    0.8599   -1.1633 C   0  0  0  0  0
   -9.9293    0.8161   -2.5174 C   0  0  0  0  0
  -11.2273    1.4679   -2.4910 N   0  0  0  0  0
  -12.3326    0.9348   -1.8726 C   0  0  0  0  0
  -13.4389    1.6808   -1.9678 C   0  0  0  0  0
  -13.1432    3.1349   -2.8685 S   0  0  0  0  0
  -11.4412    2.6883   -3.1124 C   0  0  0  0  0
  -10.6488    3.3791   -3.7338 O   0  0  0  0  0
  -12.2219   -0.2650   -1.2367 O   0  0  0  0  0
   -3.9144    0.9195   -3.1546 H   0  0  0  0  0
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    3.0545   -0.6028   -2.7385 H   0  0  0  0  0
    1.1690   -1.1509   -1.2233 H   0  0  0  0  0
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  -14.4081    1.4435   -1.5556 H   0  0  0  0  0
  -13.0799   -0.4770   -0.8320 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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  3  8  1  0  0  0
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 24 48  1  0  0  0
M  END

>  <Chemical Name>
BDBM50359429

>  <PubChem CID>
91188017

>  <Formula>
C18H24N2O3S

>  <Molecular Weight>
348.461000

>  <IUPAC Name>
3-[5-(3,4-dihydro-2H-chromen-2-ylmethylamino)pentyl]-4-hydroxy-1,3-thiazol-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCN3C(=CSC3=O)O

>  <Isomeric SMILES>
C1CC2=CC=CC=C2OC1CNCCCCCN3C(=CSC3=O)O

>  <InChI Std. ID>
InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2

>  <InChI Key>
BECZXSSRKPETSS-UHFFFAOYSA-N

