N-cyclohexyl-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclohexyl-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6586 |
| Compound Name: | N-cyclohexyl-2-{[4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | Cn1c(c2cc(c(c(c2)OC)OC)OC)nnc1SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5932 |
| logD: | 2.5932 |
| logSw: | -2.837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.226 |
| InChI Key: | BLRBGUOBVVZPKO-UHFFFAOYSA-N |