2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0233 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 484.04 |
| Molecular Formula: | C24 H22 Cl N3 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2[Cl])c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5313 |
| logD: | 2.561 |
| logSw: | -4.47 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.369 |
| InChI Key: | QLVNWOWAHKGHEB-LJQANCHMSA-N |