[2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
Chemical Structure Depiction of
[2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
[2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid
Compound characteristics
| Compound ID: | C200-8626 |
| Compound Name: | [2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzofuro[3,2-d]pyrimidin-3(4H)-yl]acetic acid |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | Cc1ccc(cc1)NC(CSC1=Nc2c3ccccc3oc2C(N1CC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4987 |
| logD: | -0.7717 |
| logSw: | -2.6788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.471 |
| InChI Key: | XSDYDPWIRXGQKY-UHFFFAOYSA-N |