5-(3-bromophenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-bromophenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0002 |
| Compound Name: | 5-(3-bromophenyl)-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | CSC1NC(C2C(C3=C(CCCC3=O)NC=2N=1)c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0131 |
| logD: | 1.3249 |
| logSw: | -3.5003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | TWMAGIJXGXMLPB-ZDUSSCGKSA-N |