5-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0038 |
| Compound Name: | 5-[4-(dimethylamino)phenyl]-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CCSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7033 |
| logD: | 1.015 |
| logSw: | -3.2229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.427 |
| InChI Key: | DTPVECSAUYDXJB-MRXNPFEDSA-N |