N-(4-bromo-2-methylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromo-2-methylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7752 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.33 |
| Molecular Formula: | C17 H18 Br N5 O S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1ccc(cc1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3729 |
| logD: | 3.3727 |
| logSw: | -3.5019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.846 |
| InChI Key: | SHECHKSUUUURQC-UHFFFAOYSA-N |