5-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2,5-dimethoxyphenyl)-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: | C318-0097 |
| Compound Name: | 5-(2,5-dimethoxyphenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2cc(ccc2OC)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1631 |
| logD: | 3.3433 |
| logSw: | -5.0917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.525 |
| InChI Key: | UZDXLGXFIMXVNQ-HSZRJFAPSA-N |