4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9514 |
| Compound Name: | 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C30 H34 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8093 |
| logD: | 4.8074 |
| logSw: | -4.5473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.561 |
| InChI Key: | BFSFDNPJALESEJ-UHFFFAOYSA-N |