N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzamide
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzamide
Compound characteristics
| Compound ID: | V025-0831 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzamide |
| Molecular Weight: | 663.67 |
| Molecular Formula: | C35 H33 F4 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(Nc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6533 |
| logD: | 6.6531 |
| logSw: | -5.655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.437 |
| InChI Key: | ODOHBGHVLWILKM-UHFFFAOYSA-N |