N'-tert-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)urea
N'-tert-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)urea
Compound characteristics
| Compound ID: | V026-0661 |
| Compound Name: | N'-tert-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-methylpropyl)urea |
| Molecular Weight: | 526.68 |
| Molecular Formula: | C28 H42 N6 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7509 |
| logD: | 3.6378 |
| logSw: | -3.9948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.867 |
| InChI Key: | IWNQDOXBGBVFGB-UHFFFAOYSA-N |