N-(4-bromo-3-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromo-3-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7912 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C22 H20 Br N5 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CSc1nnc(c2ccccc2OC)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7347 |
| logD: | 4.7346 |
| logSw: | -4.5856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.926 |
| InChI Key: | XAQHNZXFOYSRKP-UHFFFAOYSA-N |