dimethyl 5-(2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-(2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 4112-4132 |
| Compound Name: | dimethyl 5-(2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 521.63 |
| Molecular Formula: | C22 H23 N3 O6 S3 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCC(Nc1c(C(=O)OC)c(C)c(C(=O)OC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6799 |
| logD: | 2.0245 |
| logSw: | -4.1175 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.215 |
| InChI Key: | XJXIGLAMSQHIJZ-UHFFFAOYSA-N |