ethyl 1,7-dimethyl-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1,7-dimethyl-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
ethyl 1,7-dimethyl-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-3899 |
| Compound Name: | ethyl 1,7-dimethyl-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCOC(c1cc(C)nc2c1C(N(CC(Nc1cccc(c1)SC)=O)C(N2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.239 |
| logD: | 3.239 |
| logSw: | -3.4732 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.912 |
| InChI Key: | DXAMVIDLLHOCDA-UHFFFAOYSA-N |