N-{4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-1136 |
| Compound Name: | N-{4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C31 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | C1CCN(CC1)C(c1cc(ccc1N1CCCN(CC1)C(C1CCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5847 |
| logD: | 4.5843 |
| logSw: | -4.302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.59 |
| InChI Key: | ZMHCYQYDEJXIOQ-UHFFFAOYSA-N |