ethyl 5'-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)[2,3'-bithiophene]-4'-carboxylate
Chemical Structure Depiction of
ethyl 5'-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)[2,3'-bithiophene]-4'-carboxylate
ethyl 5'-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)[2,3'-bithiophene]-4'-carboxylate
Compound characteristics
| Compound ID: | 5055-6937 |
| Compound Name: | ethyl 5'-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)[2,3'-bithiophene]-4'-carboxylate |
| Molecular Weight: | 571.76 |
| Molecular Formula: | C26 H25 N3 O4 S4 |
| Smiles: | CCOC(c1c(csc1NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7105 |
| logD: | 5.6995 |
| logSw: | -5.3445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.288 |
| InChI Key: | CKGZSLGYGGZMII-UHFFFAOYSA-N |