N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-0570 |
| Compound Name: | N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 557.65 |
| Molecular Formula: | C31 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC1CCCO1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3062 |
| logD: | 3.273 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.866 |
| InChI Key: | HHWNJHODKRTNFH-RUZDIDTESA-N |