5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-2317 |
| Compound Name: | 5-(2,4-dichlorophenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 540.51 |
| Molecular Formula: | C28 H27 Cl2 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2ccc(cc2[Cl])[Cl])=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0556 |
| logD: | 5.396 |
| logSw: | -6.386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | JOAMSYVIZHLTNA-QFIPXVFZSA-N |