N-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
N-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V028-1087 |
| Compound Name: | N-butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C27 H40 N6 O4 |
| Smiles: | CCCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3764 |
| logD: | 3.2634 |
| logSw: | -3.556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.996 |
| InChI Key: | FTSTUDHVHPPONK-UHFFFAOYSA-N |