3-[(2-fluorophenyl)methyl]-2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2-fluorophenyl)methyl]-2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[(2-fluorophenyl)methyl]-2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E210-0611 |
| Compound Name: | 3-[(2-fluorophenyl)methyl]-2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H21 F N2 O4 S |
| Smiles: | COc1cccc2C=C(C3=Nc4c(C(N3Cc3ccccc3F)=O)c3CCCCc3s4)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3084 |
| logD: | 5.3084 |
| logSw: | -5.3683 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.409 |
| InChI Key: | XCJCLKAKEFDYJT-UHFFFAOYSA-N |