pentyl {[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
pentyl {[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
pentyl {[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3473-0959 |
| Compound Name: | pentyl {[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 406.56 |
| Molecular Formula: | C20 H26 N2 O3 S2 |
| Smiles: | CCCCCOC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.013 |
| logD: | 5.013 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.568 |
| InChI Key: | LUKJOUGVKGBURB-UHFFFAOYSA-N |