5-(2-chlorophenyl)-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-chlorophenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2-chlorophenyl)-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: | C202-0946 |
| Compound Name: | 5-(2-chlorophenyl)-8,8-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 492.04 |
| Molecular Formula: | C27 H26 Cl N3 O2 S |
| Smiles: | Cc1cccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2ccccc2[Cl])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6255 |
| logD: | 3.9658 |
| logSw: | -5.8828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | ALKJPHDCSFRAQF-NRFANRHFSA-N |