2-{[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-3875 |
| Compound Name: | 2-{[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C21 H19 F N2 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6459 |
| logD: | 4.6459 |
| logSw: | -4.8582 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.091 |
| InChI Key: | IBKSIHLKQAVCNK-UHFFFAOYSA-N |