N-(2-chloro-4-methylphenyl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(2-chloro-4-methylphenyl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-0435 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(Nc3ccc(C)cc3[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7633 |
| logD: | 3.7632 |
| logSw: | -3.9383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | BTRLTGTZNABHNT-UHFFFAOYSA-N |