methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-ethyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-ethyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-ethyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0019 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-ethyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C20 H18 Cl F N4 O4 S |
| Smiles: | CCN1C(=NC(c2c(cc(C)nc12)C(=O)OC)=O)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8161 |
| logD: | 3.8112 |
| logSw: | -4.4657 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.533 |
| InChI Key: | ZFPLHVURSXXLPD-UHFFFAOYSA-N |