methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-cyclopropyl-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-cyclopropyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-cyclopropyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0103 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1-cyclopropyl-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 476.91 |
| Molecular Formula: | C21 H18 Cl F N4 O4 S |
| Smiles: | Cc1cc(C(=O)OC)c2C(N=C(N(C3CC3)c2n1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9851 |
| logD: | 3.9802 |
| logSw: | -4.5974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.09 |
| InChI Key: | AFGLAUSXVGZFGP-UHFFFAOYSA-N |