2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-ethylphenyl)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-ethylphenyl)acetamide
2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | M451-2020 |
| Compound Name: | 2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CCc1cccc(c1)NC(CN1C(N2C=CN=C(C2=N1)Sc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4393 |
| logD: | 4.4393 |
| logSw: | -4.2871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | VQJYBTFLFBEUIT-UHFFFAOYSA-N |