methyl 6-{[3-(4-chlorophenyl)-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-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
Compound ID: | E711-0149 |
Compound Name: | methyl 6-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
Molecular Weight: | 467.91 |
Molecular Formula: | C24 H22 Cl N3 O5 |
Smiles: | COC(c1cc2c(cc1NC(c1c3CCCCCn3c(c3ccc(cc3)[Cl])n1)=O)OCO2)=O |
Stereo: | ACHIRAL |
logP: | 5.4851 |
logD: | 4.8413 |
logSw: | -5.8224 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.762 |
InChI Key: | KKXPHACDMQKMJZ-UHFFFAOYSA-N |