N-(3-chloro-4-methylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
N-(3-chloro-4-methylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | C301-8727 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C19 H15 Cl N6 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(Nc1ccccc1Sc1ccc2nncn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7489 |
| logD: | 4.7489 |
| logSw: | -4.9433 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.014 |
| InChI Key: | ISBHWZHZOGLVQS-UHFFFAOYSA-N |