2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | D419-0069 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CC(C)NC(CSc1nnc(c2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.408 |
| logD: | 3.408 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.973 |
| InChI Key: | XQJNSMIVUBYRRK-UHFFFAOYSA-N |