N-(butan-2-yl)-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
N-(butan-2-yl)-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V007-5742 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C31 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)C(c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2392 |
| logD: | 4.1262 |
| logSw: | -4.141 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.957 |
| InChI Key: | UMGHRKJDMFQAPT-QHCPKHFHSA-N |