5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-[(2-methylpropyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-[(2-methylpropyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-[(2-methylpropyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0027 |
| Compound Name: | 5-(2,3-dimethoxyphenyl)-8,8-dimethyl-2-[(2-methylpropyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CC(C)CSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0355 |
| logD: | 1.9612 |
| logSw: | -4.2139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.969 |
| InChI Key: | VYDSSDKQQLCOMU-GOSISDBHSA-N |