N-(5-chloro-2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0562 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3cc(c(cc3OC)OC)[Cl])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.589 |
| logD: | 4.5862 |
| logSw: | -4.7276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.889 |
| InChI Key: | JMPTWETUKQGOEY-UHFFFAOYSA-N |