
 CHEMBL1688102

 58 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1688102

>  <PubChem CID>
136188834

>  <Formula>
C27H23F3N4O

>  <Molecular Weight>
476.503000

>  <IUPAC Name>
(5S,7R)-N-benzhydryl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(NC2=C(C=NN2C1C(F)(F)F)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1[C@H](NC2=C(C=NN2[C@H]1C(F)(F)F)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H23F3N4O/c28-27(29,30)23-16-22(18-10-4-1-5-11-18)32-25-21(17-31-34(23)25)26(35)33-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,22-24,32H,16H2,(H,33,35)/t22-,23+/m0/s1

>  <InChI Key>
DSZIJTUXGRIYIN-XZOQPEGZSA-N

