N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-6163 |
| Compound Name: | N-{4-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 596.73 |
| Molecular Formula: | C35 H40 N4 O5 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1ccc(cc1C(N1CCCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5393 |
| logD: | 5.5389 |
| logSw: | -5.3773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.032 |
| InChI Key: | WHXMUNLIDFPGCH-MUUNZHRXSA-N |