methyl {[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
methyl {[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
methyl {[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: | 2969-0314 |
| Compound Name: | methyl {[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: | 350.46 |
| Molecular Formula: | C16 H18 N2 O3 S2 |
| Smiles: | COC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9997 |
| logD: | 2.9997 |
| logSw: | -3.1499 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.694 |
| InChI Key: | ZSJKWULIGYQLGQ-UHFFFAOYSA-N |