2-{[5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V010-5613 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2571 |
| logD: | 4.257 |
| logSw: | -4.2738 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.175 |
| InChI Key: | SHRFEJNFLGVSSN-UHFFFAOYSA-N |