2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0094 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(2,3-dimethoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 538.07 |
| Molecular Formula: | C28 H28 Cl N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccc(cc2)[Cl])c2cccc(c2OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5199 |
| logD: | 2.7 |
| logSw: | -4.7805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.698 |
| InChI Key: | NASZIKHQRLLJHV-OAQYLSRUSA-N |