N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)-N'-(propan-2-yl)thiourea
Chemical Structure Depiction of
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)-N'-(propan-2-yl)thiourea
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)-N'-(propan-2-yl)thiourea
Compound characteristics
| Compound ID: | V009-2008 |
| Compound Name: | N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)-N'-(propan-2-yl)thiourea |
| Molecular Weight: | 576.76 |
| Molecular Formula: | C31 H40 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2OC)OC)nn1)=O)C(C)c1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7936 |
| logD: | 4.7889 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.453 |
| InChI Key: | RPADYWGVASPGDL-QHCPKHFHSA-N |