methyl 4-{[2-(4-methylphenyl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-methylphenyl)azepane-1-carbonyl]amino}benzoate
methyl 4-{[2-(4-methylphenyl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0793 |
| Compound Name: | methyl 4-{[2-(4-methylphenyl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C22 H26 N2 O3 |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9993 |
| logD: | 4.9993 |
| logSw: | -4.5612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.635 |
| InChI Key: | LUEVOQZFIZEHSG-FQEVSTJZSA-N |