N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0903 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{3-oxo-6-[(propan-2-yl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 407.88 |
| Molecular Formula: | C17 H18 Cl N5 O3 S |
| Smiles: | CC(C)SC1C=CC2=NN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5827 |
| logD: | 3.5826 |
| logSw: | -3.8436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.228 |
| InChI Key: | FWWNUMZEBRDOCK-UHFFFAOYSA-N |