5-(4-methoxyphenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-methoxyphenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-methoxyphenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0103 |
| Compound Name: | 5-(4-methoxyphenyl)-8,8-dimethyl-2-{[(3-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: | Cc1cccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2ccc(cc2)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7963 |
| logD: | 2.9764 |
| logSw: | -4.7534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.894 |
| InChI Key: | JKMWVFKBEFYAGG-JOCHJYFZSA-N |