2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-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-(pyridin-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-(pyridin-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0234 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(pyridin-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 479 |
| Molecular Formula: | C25 H23 Cl N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2[Cl])c2ccccn2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.583 |
| logD: | 1.6126 |
| logSw: | -3.7639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.398 |
| InChI Key: | DYBBARRMORWEPH-HXUWFJFHSA-N |