N-(3,4-dimethoxyphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
N-(3,4-dimethoxyphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | C301-8725 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | COc1ccc(cc1OC)NC(Nc1ccccc1Sc1ccc2nncn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8936 |
| logD: | 2.8936 |
| logSw: | -3.478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.275 |
| InChI Key: | FZHITGIRGXSSKZ-UHFFFAOYSA-N |