2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0224 |
| Compound Name: | 2-{[(2-fluorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C29 H30 F N3 O5 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2F)c2cc(c(c(c2)OC)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2529 |
| logD: | 2.433 |
| logSw: | -4.3926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.328 |
| InChI Key: | VQVWLTQYAVNPGC-JOCHJYFZSA-N |