4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-4632 |
| Compound Name: | 4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C30 H34 F N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)NC(N1CCCN(CC1)c1ccc(cc1C(NCc1ccc(cc1)F)=O)NC(COC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1975 |
| logD: | 4.1955 |
| logSw: | -4.33 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.984 |
| InChI Key: | TXNPWRFQLKAJQB-UHFFFAOYSA-N |