methyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
methyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E475-1034 |
| Compound Name: | methyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(C(Nc2ccccc2C(=O)OC)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.3258 |
| logD: | 5.2578 |
| logSw: | -5.1142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.646 |
| InChI Key: | XVEVDHLFOWRVDL-UHFFFAOYSA-N |