2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-3605 |
| Compound Name: | 2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H17 N3 O S2 |
| Smiles: | C(c1ccccc1)n1c(c2ccccc2)nnc1SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0182 |
| logD: | 5.0182 |
| logSw: | -4.9365 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.235 |
| InChI Key: | QVXMDOCMLUHZFW-UHFFFAOYSA-N |