methyl 4-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}benzoate
methyl 4-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J007-0794 |
| Compound Name: | methyl 4-{[2-(3-methylphenyl)azepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C22 H26 N2 O3 |
| Smiles: | Cc1cccc(c1)C1CCCCCN1C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1155 |
| logD: | 5.1155 |
| logSw: | -4.9445 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.635 |
| InChI Key: | WYTSETYOPZVOCQ-FQEVSTJZSA-N |