ethyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
ethyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E475-1066 |
| Compound Name: | ethyl 2-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C25 H27 N3 O3 |
| Smiles: | CCOC(c1ccccc1NC(c1c2CCCCCn2c(c2ccc(C)cc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8695 |
| logD: | 5.8014 |
| logSw: | -5.3078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.226 |
| InChI Key: | JWFHPSHZWPSEFE-UHFFFAOYSA-N |