6,8-dimethyl-2-{[(4-methyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
6,8-dimethyl-2-{[(4-methyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
6,8-dimethyl-2-{[(4-methyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0902 |
| Compound Name: | 6,8-dimethyl-2-{[(4-methyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | CCCc1nnc(n1C)SCC1=CC(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2426 |
| logD: | 3.232 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.841 |
| InChI Key: | JSFFDPGUFYGPPQ-UHFFFAOYSA-N |