methyl 5'-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}[2,3'-bithiophene]-4'-carboxylate
Chemical Structure Depiction of
methyl 5'-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}[2,3'-bithiophene]-4'-carboxylate
methyl 5'-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}[2,3'-bithiophene]-4'-carboxylate
Compound characteristics
| Compound ID: | 5067-0777 |
| Compound Name: | methyl 5'-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}[2,3'-bithiophene]-4'-carboxylate |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C22 H19 N3 O3 S4 |
| Smiles: | COC(c1c(csc1NC(CSc1c2c3CCCCc3sc2ncn1)=O)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3766 |
| logD: | 5.3573 |
| logSw: | -5.5103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.798 |
| InChI Key: | UDOFXROVRJMAKM-UHFFFAOYSA-N |