ethyl 4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
ethyl 4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Compound characteristics
Compound ID: | 3325-0026 |
Compound Name: | ethyl 4-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate |
Molecular Weight: | 428.57 |
Molecular Formula: | C22 H24 N2 O3 S2 |
Smiles: | CCOC(CCCSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2)=O |
Stereo: | ACHIRAL |
logP: | 4.6466 |
logD: | 4.6466 |
logSw: | -4.458 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 45.413 |
InChI Key: | JRJIEIPQSPRFJG-UHFFFAOYSA-N |