4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9515 |
| Compound Name: | 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C30 H31 F4 N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4292 |
| logD: | 5.4272 |
| logSw: | -5.4734 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.561 |
| InChI Key: | OHFZWZLOFAXIPF-UHFFFAOYSA-N |