2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0117 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6439 |
| logD: | 3.206 |
| logSw: | -4.9502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | ABSRVIXYZCMGNV-HXUWFJFHSA-N |