N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}thiophene-2-carboxamide
N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | F938-0139 |
| Compound Name: | N-{2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 471.4 |
| Molecular Formula: | C20 H15 Br N4 O S2 |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Br])Sc1ccccc1NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0948 |
| logD: | 5.0948 |
| logSw: | -5.1246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.447 |
| InChI Key: | PFBQAFQIXDREEB-UHFFFAOYSA-N |