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)benzene-1,3-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)benzene-1,3-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)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4112-4107 |
| 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)benzene-1,3-dicarboxylate |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C23 H23 N3 O6 S2 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4109 |
| logD: | 4.4109 |
| logSw: | -4.4224 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.42 |
| InChI Key: | BGCPTODAXGLKGS-UHFFFAOYSA-N |