2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1009 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C29 H31 N3 O3 S |
| Smiles: | Cc1ccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2cccc(c2)OC)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2684 |
| logD: | 3.4486 |
| logSw: | -5.1768 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.894 |
| InChI Key: | DRQHCZXZWIHVKH-HSZRJFAPSA-N |