2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-6563 |
| Compound Name: | 2-{[7-(3-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc2C(N(C=Cn12)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3383 |
| logD: | 2.3383 |
| logSw: | -2.8807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.395 |
| InChI Key: | WFKBHLCVGHKVOM-UHFFFAOYSA-N |