N-cyclohexyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-1,4-diazepane-1-carboxamide
N-cyclohexyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-7752 |
| Compound Name: | N-cyclohexyl-4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C29 H38 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7124 |
| logD: | 4.7056 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.608 |
| InChI Key: | HXZJYWBZQCJHOU-UHFFFAOYSA-N |