2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V010-5590 |
| Compound Name: | 2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2cc(cc(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7765 |
| logD: | 3.7765 |
| logSw: | -3.9663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.476 |
| InChI Key: | CNGUIRNJJCTRNJ-UHFFFAOYSA-N |