methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0071 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C21 H15 Cl F N3 O3 S2 |
| Smiles: | CN1C(=NC(c2c(cc(c3cccs3)nc12)C(=O)OC)=O)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.5132 |
| logD: | 5.5132 |
| logSw: | -6.1147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.365 |
| InChI Key: | ZCQNOEKTWYSELX-UHFFFAOYSA-N |