ethyl 3-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C066-1859 |
| Compound Name: | ethyl 3-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)c(C)c(C(=O)OCC)s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1619 |
| logD: | 3.1618 |
| logSw: | -3.286 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.898 |
| InChI Key: | SIXNPCFPPONJBP-UHFFFAOYSA-N |