7,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
7,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
7,8-dimethyl-2-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0678 |
| Compound Name: | 7,8-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: | Cc1ccc2C(C=C(CSc3nnc[nH]3)Nc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8888 |
| logD: | 1.5343 |
| logSw: | -2.7352 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.935 |
| InChI Key: | LXZMNKPJALGPER-UHFFFAOYSA-N |