5-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0072 |
| Compound Name: | 5-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C24 H19 F N4 O4 S |
| Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccc(cc2)[N+]([O-])=O)c2cccc(c2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2881 |
| logD: | 1.8502 |
| logSw: | -3.687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.732 |
| InChI Key: | BEKPITIPXQVYGZ-LJQANCHMSA-N |