methyl 1-cyclopropyl-2-{[2-(3-fluoroanilino)-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-fluoroanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1-cyclopropyl-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0112 |
| Compound Name: | methyl 1-cyclopropyl-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-7-methyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C21 H19 F N4 O4 S |
| Smiles: | Cc1cc(C(=O)OC)c2C(N=C(N(C3CC3)c2n1)SCC(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4083 |
| logD: | 3.4082 |
| logSw: | -3.8554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.09 |
| InChI Key: | OOXWMDYWUOUAOT-UHFFFAOYSA-N |