methyl 1-cyclopropyl-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-cyclopropyl-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1-cyclopropyl-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0113 |
| Compound Name: | methyl 1-cyclopropyl-2-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C22 H21 F N4 O4 S |
| Smiles: | Cc1ccc(cc1F)NC(CSC1=NC(c2c(cc(C)nc2N1C1CC1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9047 |
| logD: | 3.9046 |
| logSw: | -4.1817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.09 |
| InChI Key: | SOCBRBUOYGXERV-UHFFFAOYSA-N |