N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F019-0360 |
| Compound Name: | N-(4-bromo-2,3-dimethylphenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 493.42 |
| Molecular Formula: | C24 H21 Br N4 O S |
| Smiles: | Cc1c(ccc(c1C)[Br])NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5533 |
| logD: | 5.5532 |
| logSw: | -5.4842 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.164 |
| InChI Key: | QMNCFKYXPCRFJS-UHFFFAOYSA-N |