N-(2,6-dimethylphenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-4711 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C23 H26 N4 O S2 |
| Smiles: | Cc1ccc(cc1)SCc1nnc(n1CC=C)SCC(Nc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7284 |
| logD: | 4.7284 |
| logSw: | -4.4231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | ODWJMLVLFSNEIS-UHFFFAOYSA-N |