4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9481 |
| Compound Name: | 4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methylpropanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C31 H33 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8915 |
| logD: | 5.8895 |
| logSw: | -5.5709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.774 |
| InChI Key: | XGCPHCPNOAIGLJ-UHFFFAOYSA-N |