2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(diethylamino)phenyl]-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-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0123 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[4-(diethylamino)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 521.08 |
| Molecular Formula: | C28 H29 Cl N4 O2 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.031 |
| logD: | 3.5931 |
| logSw: | -5.4372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.087 |
| InChI Key: | IVHIKGSSXKMRFA-HSZRJFAPSA-N |