2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-2484 |
| Compound Name: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnc[nH]2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.1458 |
| logD: | 1.7913 |
| logSw: | -2.8448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.222 |
| InChI Key: | HZXSFAUJYDGYNX-UHFFFAOYSA-N |