methyl 2-{[2-(3-fluoroanilino)-2-oxoethyl]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-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0059 |
| Compound Name: | methyl 2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-1-methyl-4-oxo-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C22 H17 F N4 O4 S2 |
| Smiles: | CN1C(=NC(c2c(cc(c3cccs3)nc12)C(=O)OC)=O)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1649 |
| logD: | 4.1648 |
| logSw: | -4.4198 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.515 |
| InChI Key: | NNLVHQUKKUBAIH-UHFFFAOYSA-N |