methyl 4-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}benzoate
methyl 4-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0796 |
| Compound Name: | methyl 4-{[2-(4-chlorophenyl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C21 H23 Cl N2 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCCCC1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1706 |
| logD: | 5.1706 |
| logSw: | -5.8062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.635 |
| InChI Key: | NCIZOYSSBAAWFQ-IBGZPJMESA-N |