4-(4-[(cyclopentanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-[(cyclopentanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-(4-[(cyclopentanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9446 |
| Compound Name: | 4-(4-[(cyclopentanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 625.67 |
| Molecular Formula: | C33 H35 F4 N5 O3 |
| Smiles: | C1CCC(C1)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3206 |
| logD: | 6.3186 |
| logSw: | -6.1022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.061 |
| InChI Key: | MDSCFCGPTAFTAM-UHFFFAOYSA-N |