
 BDBM50295237

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M  END

>  <Chemical Name>
BDBM50295237

>  <PubChem CID>
91934308

>  <Formula>
C22H19ClF4N2O

>  <Molecular Weight>
438.851000

>  <IUPAC Name>
6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-3-(trifluoromethyl)-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(CC2=NC3=C(C=C(C=C3)C(F)(F)F)NC(C2C(=O)C1)C4=C(C=CC=C4Cl)F)C

>  <Isomeric SMILES>
CC1(CC2=NC3=C(C=C(C=C3)C(F)(F)F)NC(C2C(=O)C1)C4=C(C=CC=C4Cl)F)C

>  <InChI Std. ID>
InChI=1S/C22H19ClF4N2O/c1-21(2)9-16-19(17(30)10-21)20(18-12(23)4-3-5-13(18)24)29-15-8-11(22(25,26)27)6-7-14(15)28-16/h3-8,19-20,29H,9-10H2,1-2H3

>  <InChI Key>
FTXBKCSUVOBDNP-UHFFFAOYSA-N

