methyl 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
methyl 1,7-dimethyl-3-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 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: | J026-3778 |
| Compound Name: | methyl 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: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(Nc3cccc(c3)SC)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6954 |
| logD: | 2.6954 |
| logSw: | -3.0941 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.332 |
| InChI Key: | ZVRUTSHCHHMUJT-UHFFFAOYSA-N |