2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-methylphenyl)acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | M451-2014 |
Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-methylphenyl)acetamide |
Molecular Weight: | 419.5 |
Molecular Formula: | C22 H21 N5 O2 S |
Smiles: | Cc1cccc(c1)NC(CN1C(N2C=CN=C(C2=N1)Sc1ccc(C)cc1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0088 |
logD: | 4.0088 |
logSw: | -3.9917 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.586 |
InChI Key: | HOORFANOBYQLOU-UHFFFAOYSA-N |