methyl 4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
methyl 4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate
Compound characteristics
| Compound ID: | D271-0544 |
| Compound Name: | methyl 4-(2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-5-yl)benzoate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | CN1C2=C(C(CC(N2)=O)c2ccc(cc2)C(=O)OC)C(N=C1SCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6016 |
| logD: | 2.5016 |
| logSw: | -3.0526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.256 |
| InChI Key: | KGEMJKGMASXQRK-KRWDZBQOSA-N |