N-(3-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y207-1531 |
| Compound Name: | N-(3-acetylphenyl)-2-{[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2ccc(C)cc2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2055 |
| logD: | 4.2054 |
| logSw: | -4.2232 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.195 |
| InChI Key: | XCYYEOQEXLXJSP-UHFFFAOYSA-N |