2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-4190 |
| Compound Name: | 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.178 |
| logD: | 4.178 |
| logSw: | -4.1861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.896 |
| InChI Key: | JTILVISHPVQSOM-UHFFFAOYSA-N |