ethyl 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-4466 |
| Compound Name: | ethyl 2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C=Nc2c(C1=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7099 |
| logD: | 4.7099 |
| logSw: | -4.4713 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.459 |
| InChI Key: | PJBOTVZCVDYRGR-UHFFFAOYSA-N |