1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4802-0181 |
| Compound Name: | 1-(2,2,4,6-tetramethylquinolin-1(2H)-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C17 H20 N4 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 2.6218 |
| logD: | 2.2672 |
| logSw: | -3.1392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.222 |
| InChI Key: | CBHIIVJDCRVCMJ-UHFFFAOYSA-N |