methyl 5-{1-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{1-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}furan-2-carboxylate
methyl 5-{1-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 8016-1930 |
| Compound Name: | methyl 5-{1-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethyl}furan-2-carboxylate |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C24 H22 N2 O4 S2 |
| Smiles: | CC(c1ccc(C(=O)OC)o1)SC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5346 |
| logD: | 5.5346 |
| logSw: | -5.4935 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.827 |
| InChI Key: | NBYTVLOKBWOYEP-AWEZNQCLSA-N |