2-(ethylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(ethylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(ethylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0037 |
| Compound Name: | 2-(ethylsulfanyl)-5-[4-(propan-2-yl)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CCSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1ccc(cc1)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9515 |
| logD: | 2.2632 |
| logSw: | -3.9776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | IBRRUBUROYBUPV-QGZVFWFLSA-N |