N-(4-acetylphenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-(4-acetylphenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-2049 |
| Compound Name: | N-(4-acetylphenyl)-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)Sc1ccc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.191 |
| logD: | 3.1909 |
| logSw: | -3.2208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.413 |
| InChI Key: | DYJXEBFNXPGIHL-UHFFFAOYSA-N |