N-(3-chloro-4-methoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2199 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{8-[(2-ethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 469.95 |
| Molecular Formula: | C22 H20 Cl N5 O3 S |
| Smiles: | CCc1ccccc1SC1C2=NN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9322 |
| logD: | 3.9321 |
| logSw: | -4.2264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.217 |
| InChI Key: | JGOXHZZVBIAYQQ-UHFFFAOYSA-N |