5,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
5,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
5,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1354 |
| Compound Name: | 5,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | Cc1ccc(C)c2c1C(C=C(CSc1nnc[nH]1)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8396 |
| logD: | 1.4851 |
| logSw: | -2.3814 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.935 |
| InChI Key: | YSYYGDXEVBNUNT-UHFFFAOYSA-N |