ethyl [(3-benzyl-4-oxo-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 [(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
ethyl [(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3473-0221 |
| Compound Name: | ethyl [(3-benzyl-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CCCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2029 |
| logD: | 5.2029 |
| logSw: | -4.9256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.355 |
| InChI Key: | JRDUGQGLTYBRAX-UHFFFAOYSA-N |