3-(2-methylphenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Chemical Structure Depiction of
3-(2-methylphenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
3-(2-methylphenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Compound characteristics
| Compound ID: | 5218-2303 |
| Compound Name: | 3-(2-methylphenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one |
| Molecular Weight: | 323.41 |
| Molecular Formula: | C18 H17 N3 O S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cc3CCCCc3n2)C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.8356 |
| logD: | -2.0976 |
| logSw: | -3.8876 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.249 |
| InChI Key: | VUFGQVPYRLXXRB-UHFFFAOYSA-N |