2-{[2-oxo-2-(thiophen-2-yl)ethyl]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-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-oxo-2-(thiophen-2-yl)ethyl]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: | 4469-0549 |
| Compound Name: | 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 402.55 |
| Molecular Formula: | C19 H18 N2 O2 S3 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5094 |
| logD: | 4.5094 |
| logSw: | -4.5554 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.109 |
| InChI Key: | RWLFHYOQVKSGQM-UHFFFAOYSA-N |