N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0162 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.9806 |
| logD: | 3.9778 |
| logSw: | -4.3241 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.889 |
| InChI Key: | REGJVAIAUFVGLQ-UHFFFAOYSA-N |