methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-cyclopropyl-1-ethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-cyclopropyl-1-ethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-cyclopropyl-1-ethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0146 |
| Compound Name: | methyl 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-cyclopropyl-1-ethyl-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C21 H19 Cl F N3 O3 S |
| Smiles: | CCN1C(=NC(c2c(cc(C3CC3)nc12)C(=O)OC)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.2394 |
| logD: | 5.2393 |
| logSw: | -5.7966 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.829 |
| InChI Key: | MSZMYJJKLAHNMX-UHFFFAOYSA-N |