5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
5-(3,4-dimethoxyphenyl)-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: | 4065-0102 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)NC(NC3=O)=S)c2ccc(c(c2)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2949 |
| logD: | 2.1529 |
| logSw: | -2.9702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.214 |
| InChI Key: | SWFZFCNBXPUFAL-OAHLLOKOSA-N |