2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-4412 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C26 H23 N3 O S |
| Smiles: | C1CCc2cc(ccc2C1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2963 |
| logD: | 6.2963 |
| logSw: | -6.0988 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.88 |
| InChI Key: | JGNMSYMVPHDNDY-UHFFFAOYSA-N |