5-(2H-1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2H-1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | 6279-6065 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C25 H20 Cl N3 O4 S |
| Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2[Cl])c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1735 |
| logD: | 2.7356 |
| logSw: | -4.6118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.466 |
| InChI Key: | VDPBSAYWMGKSQW-HXUWFJFHSA-N |