2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7838 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide |
| Molecular Weight: | 468.37 |
| Molecular Formula: | C21 H18 Br N5 O S |
| Smiles: | C(c1ccccc1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4019 |
| logD: | 4.4017 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | FBWNVFLLTCZGRL-UHFFFAOYSA-N |