methyl 6-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E475-1244 |
| Compound Name: | methyl 6-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | Cc1ccc(cc1)c1nc(C(Nc2cc3c(cc2C(=O)OC)OCO3)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.3138 |
| logD: | 4.6699 |
| logSw: | -5.172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.762 |
| InChI Key: | XJDLWGCZJSHGBW-UHFFFAOYSA-N |