N-(5-chloro-2-methoxyphenyl)-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-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0561 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 455.92 |
| Molecular Formula: | C21 H18 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(Nc3cc(ccc3OC)[Cl])=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5431 |
| logD: | 4.5417 |
| logSw: | -4.6777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.258 |
| InChI Key: | QIUHJNNOPKFJDN-UHFFFAOYSA-N |