[2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
Chemical Structure Depiction of
[2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
[2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
Compound characteristics
| Compound ID: | C200-8627 |
| Compound Name: | [2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C20 H14 F N3 O5 S |
| Smiles: | C(C(O)=O)N1C(=Nc2c3ccccc3oc2C1=O)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2287 |
| logD: | -1.0417 |
| logSw: | -2.8173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.471 |
| InChI Key: | MXACKOZELUIBSY-UHFFFAOYSA-N |