methyl 4-[5-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
methyl 4-[5-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
Compound characteristics
| Compound ID: | 3949-2421 |
| Compound Name: | methyl 4-[5-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(C2NC(c3c4CCCCc4sc3N=2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8509 |
| logD: | 4.846 |
| logSw: | -4.7588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.287 |
| InChI Key: | WCDVSSFOMVGXQI-UHFFFAOYSA-N |