5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1008 |
| Compound Name: | 5-(3-methoxyphenyl)-8,8-dimethyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | Cc1ccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2cccc(c2)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3256 |
| logD: | 2.5057 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.894 |
| InChI Key: | MZJZWBFIIOTSSM-JOCHJYFZSA-N |