N-{3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-1184 |
| Compound Name: | N-{3-[benzyl(methyl)carbamoyl]-4-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 582.7 |
| Molecular Formula: | C34 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | CN(Cc1ccccc1)C(c1cc(ccc1N1CCCN(CC1)C(C1CCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3968 |
| logD: | 5.3962 |
| logSw: | -5.3086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.092 |
| InChI Key: | UUQSOHAGLDQLOD-UHFFFAOYSA-N |