methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-3768 |
| Compound Name: | methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 434.81 |
| Molecular Formula: | C19 H16 Cl F N4 O5 |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9646 |
| logD: | 2.961 |
| logSw: | -3.6414 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.332 |
| InChI Key: | RRYFSQSAKYOZKV-UHFFFAOYSA-N |