5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
| Compound ID: | 6143-0075 |
| Compound Name: | 5-[4-(benzyloxy)-3-methoxyphenyl]-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)NC(NC3=O)=S)c2ccc(c(c2)OC)OCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8358 |
| logD: | 3.6939 |
| logSw: | -4.2271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.898 |
| InChI Key: | IIFUXBZLXYRZSW-OAQYLSRUSA-N |