3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6048-0329 |
| Compound Name: | 3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C16 H15 N O6 |
| Smiles: | COC(c1ccc(cc1)NC(C1C(C2C=CC1O2)C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.438 |
| logD: | -0.7834 |
| logSw: | -1.748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.536 |
| InChI Key: | OQFZTIKWMRRYSB-UHFFFAOYSA-N |