N-[(4-methylphenyl)methyl]-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-[(4-methylphenyl)methyl]-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-1083 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{8-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CN2C(N3C=CN=C(C3=N2)Sc2ccc(C)cc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2098 |
| logD: | 3.2098 |
| logSw: | -3.2949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.909 |
| InChI Key: | PFNMXJJIUPCMPF-UHFFFAOYSA-N |