3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y204-6148 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C16 H15 N O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1C(C2C=CC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7412 |
| logD: | -1.4802 |
| logSw: | -1.8223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.8 |
| InChI Key: | NHKZEKPKHWHYRD-UHFFFAOYSA-N |