
 CHEMBL494961

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.2209    0.1603   -2.6703 C   0  0  0  0  0
    1.9715    0.7780   -2.6546 C   0  0  0  0  0
    0.9149    0.1999   -1.9444 C   0  0  0  0  0
    1.0997   -0.9890   -1.2276 C   0  0  0  0  0
    2.3581   -1.6080   -1.2594 C   0  0  0  0  0
    3.4007   -1.0297   -1.9771 C   0  0  0  0  0
    4.5992   -1.6275   -1.9921 F   0  0  0  0  0
   -0.0392   -1.5486   -0.3980 C   0  0  0  0  0
   -1.3732   -1.0187   -0.8928 C   0  0  0  0  0
   -1.4166    0.1699   -1.6314 C   0  0  0  0  0
   -0.2886    0.8618   -2.0025 O   0  0  0  0  0
   -2.6391    0.7153   -2.0329 C   0  0  0  0  0
   -3.8294    0.0620   -1.7172 C   0  0  0  0  0
   -3.7858   -1.1275   -0.9992 C   0  0  0  0  0
   -2.5750   -1.6717   -0.5801 C   0  0  0  0  0
   -4.9288   -1.7585   -0.7002 F   0  0  0  0  0
    0.1662   -1.1733    1.0873 C   0  0  0  0  0
   -0.1516   -0.0560    1.5208 O   0  0  0  0  0
    0.7464   -2.0157    1.9830 N   0  0  0  0  0
    1.1501   -3.2947    1.7914 C   0  0  0  0  0
    1.0396   -4.0868    0.7511 N   0  0  0  0  0
    1.6395   -5.2539    1.1539 C   0  0  0  0  0
    2.1051   -5.1150    2.4357 C   0  0  0  0  0
    1.7850   -3.8615    2.8607 O   0  0  0  0  0
    4.0494    0.5956   -3.2191 H   0  0  0  0  0
    1.8160    1.7054   -3.1994 H   0  0  0  0  0
    2.5466   -2.5373   -0.7319 H   0  0  0  0  0
   -0.0805   -2.6267   -0.5557 H   0  0  0  0  0
   -2.6605    1.6452   -2.5948 H   0  0  0  0  0
   -4.7858    0.4716   -2.0252 H   0  0  0  0  0
   -2.5829   -2.5956   -0.0094 H   0  0  0  0  0
    0.8949   -1.6330    2.9054 H   0  0  0  0  0
    1.7052   -6.1173    0.5059 H   0  0  0  0  0
    2.6336   -5.7458    3.1351 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  8 28  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 31  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 33  1  0  0  0
 23 24  1  0  0  0
 23 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL494961

>  <PubChem CID>
44573779

>  <Formula>
C17H10F2N2O3

>  <Molecular Weight>
328.275000

>  <IUPAC Name>
2,7-difluoro-N-(1,3-oxazol-2-yl)-9H-xanthene-9-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC2=C(C=C1F)C(C3=C(O2)C=CC(=C3)F)C(=O)NC4=NC=CO4

>  <Isomeric SMILES>
C1=CC2=C(C=C1F)C(C3=C(O2)C=CC(=C3)F)C(=O)NC4=NC=CO4

>  <InChI Std. ID>
InChI=1S/C17H10F2N2O3/c18-9-1-3-13-11(7-9)15(16(22)21-17-20-5-6-23-17)12-8-10(19)2-4-14(12)24-13/h1-8,15H,(H,20,21,22)

>  <InChI Key>
BUUDEVOKMZHHDN-UHFFFAOYSA-N

