ethyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
ethyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3379-1659 |
| Compound Name: | ethyl [(4-oxo-3-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6079 |
| logD: | 4.6078 |
| logSw: | -4.3878 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.744 |
| InChI Key: | DMBYDPDZXUTSIU-UHFFFAOYSA-N |