N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-0444 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 493.89 |
| Molecular Formula: | C21 H15 Cl F3 N5 O2 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(Nc3ccc(c(c3)C(F)(F)F)[Cl])=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6467 |
| logD: | 4.6387 |
| logSw: | -4.8711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | JHXVWWPZNQTZSQ-UHFFFAOYSA-N |