2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,7-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,7-dimethylquinolin-4(1H)-one
2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,7-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1193 |
| Compound Name: | 2-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5,7-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 314.41 |
| Molecular Formula: | C16 H18 N4 O S |
| Smiles: | CCc1nnc([nH]1)SCC1=CC(c2c(C)cc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9667 |
| logD: | 2.6374 |
| logSw: | -3.1101 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.531 |
| InChI Key: | BNBJJCVMDIUHKS-UHFFFAOYSA-N |