2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide
Compound characteristics
| Compound ID: | D419-0532 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxyethyl)-N-methylacetamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CN(CCO)C(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9955 |
| logD: | 1.9955 |
| logSw: | -2.5488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.773 |
| InChI Key: | RUICJQQNBPQRRR-UHFFFAOYSA-N |