5-(3-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0091 |
| Compound Name: | 5-(3-bromophenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 512.4 |
| Molecular Formula: | C24 H19 Br F N3 O2 S |
| Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2F)c2cccc(c2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6869 |
| logD: | 3.2489 |
| logSw: | -4.7762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | KHTDXQUKGHSXRB-IBGZPJMESA-N |