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
Available: 21 mg
Amount:
mg
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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
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