2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Compound characteristics
| Compound ID: | Y206-1309 |
| Compound Name: | 2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-phenylethyl)acetamide |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | CC(c1ccccc1)NC(CSc1nnc(C)n1C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.964 |
| logD: | 1.9638 |
| logSw: | -2.2928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.999 |
| InChI Key: | LUDJTPYWZDFONS-LBPRGKRZSA-N |