5,7-dimethyl-2-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinolin-4(1H)-one
Chemical Structure Depiction of
5,7-dimethyl-2-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinolin-4(1H)-one
5,7-dimethyl-2-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-1203 |
| Compound Name: | 5,7-dimethyl-2-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}quinolin-4(1H)-one |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCC1=CC(c2c(C)cc(C)cc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.769 |
| logD: | 1.9665 |
| logSw: | -2.9932 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.095 |
| InChI Key: | IYBRZXHNMXLNST-UHFFFAOYSA-N |