N-(3-acetylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D419-0040 |
| Compound Name: | N-(3-acetylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3018 |
| logD: | 4.3018 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.689 |
| InChI Key: | XYXZXWWGRLMSSX-UHFFFAOYSA-N |