5-(4-chlorophenyl)-10-[(1,3-dioxolan-2-yl)methyl]-2-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-10-[(1,3-dioxolan-2-yl)methyl]-2-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-chlorophenyl)-10-[(1,3-dioxolan-2-yl)methyl]-2-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0387 |
| Compound Name: | 5-(4-chlorophenyl)-10-[(1,3-dioxolan-2-yl)methyl]-2-{[(1,3-dioxolan-2-yl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C27 H30 Cl N3 O6 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N=C(NC3=O)SCC3OCCO3)N2CC2OCCO2)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5701 |
| logD: | 2.5698 |
| logSw: | -3.7638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.19 |
| InChI Key: | NRBRGOSCALZSCO-NRFANRHFSA-N |