8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0111 |
| Compound Name: | 8,8-dimethyl-5-(4-methylphenyl)-2-(pentylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | CCCCCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.427 |
| logD: | 3.3526 |
| logSw: | -5.2209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | SFNQSRDYNIYEOC-LJQANCHMSA-N |