5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0003 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCCN2CCOCC2)c2ccc(c(c2)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.924 |
| logD: | 1.924 |
| logSw: | -2.8041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.502 |
| InChI Key: | NVGDOUUBGVJERH-OAQYLSRUSA-N |