N-(2-{4-[6-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)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: | V023-5296 |
| Compound Name: | N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 573.65 |
| Molecular Formula: | C31 H35 N5 O6 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1ccc(nn1)N1CCCN(CC1)C(CN(CC1CCCO1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8213 |
| logD: | 2.6514 |
| logSw: | -3.1195 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.41 |
| InChI Key: | WTJBJAVQBCBTKO-RUZDIDTESA-N |