dimethyl 5-(2-{[4-oxo-5-phenyl-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-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
dimethyl 5-(2-{[4-oxo-5-phenyl-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: | 4112-4072 |
| Compound Name: | dimethyl 5-(2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate |
| Molecular Weight: | 549.62 |
| Molecular Formula: | C27 H23 N3 O6 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(CSC1=Nc2c(C(N1CC=C)=O)c(cs2)c1ccccc1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2906 |
| logD: | 5.2906 |
| logSw: | -5.4796 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.149 |
| InChI Key: | LWKKYHYNYOZWCB-UHFFFAOYSA-N |