
 SCHEMBL1602948

 57 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1602948

>  <PubChem CID>
51034679

>  <Formula>
C24H22F6N2O3

>  <Molecular Weight>
500.441000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-1-oxo-4,6,7,7a-tetrahydro-3H-pyrano[3,4-c]pyrrole-3a-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(COCCC3C2=O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC3(COCCC3C2=O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H22F6N2O3/c1-13-4-3-5-14(2)19(13)32-11-22(12-35-7-6-18(22)20(32)33)21(34)31-17-9-15(23(25,26)27)8-16(10-17)24(28,29)30/h3-5,8-10,18H,6-7,11-12H2,1-2H3,(H,31,34)

>  <InChI Key>
BKRFITBMRNMJTN-UHFFFAOYSA-N

