2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8010-0901 |
| Compound Name: | 2-[(5-benzyl-4-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)c1nnc(n1c1ccccc1)SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4286 |
| logD: | 4.4286 |
| logSw: | -4.5015 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.954 |
| InChI Key: | VOZXUJODHSDQIZ-UHFFFAOYSA-N |