6-(4-fluorophenyl)-5-phenyl-7-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Chemical Structure Depiction of
6-(4-fluorophenyl)-5-phenyl-7-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
6-(4-fluorophenyl)-5-phenyl-7-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
Compound characteristics
| Compound ID: | 8009-9836 |
| Compound Name: | 6-(4-fluorophenyl)-5-phenyl-7-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one |
| Molecular Weight: | 465.45 |
| Molecular Formula: | C26 H19 F4 N3 O |
| Smiles: | C1CN=C(C2C(c3ccc(cc3)F)N(C(C=2N1)=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0587 |
| logD: | 5.0587 |
| logSw: | -4.9124 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.485 |
| InChI Key: | KQXGLJJFXPVKCC-XMMPIXPASA-N |