N-{4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
Compound ID: | V024-4912 |
Compound Name: | N-{4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide |
Molecular Weight: | 518.61 |
Molecular Formula: | C29 H34 N4 O5 |
Salt: | not_available |
Smiles: | C1CCN(CC1)C(c1cc(ccc1N1CCCN(CC1)C(C1CC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8017 |
logD: | 3.8013 |
logSw: | -4.0684 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.555 |
InChI Key: | SQHLVDDRVONMID-UHFFFAOYSA-N |