3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y204-3267 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 303.27 |
| Molecular Formula: | C15 H13 N O6 |
| Smiles: | C1Oc2ccc(cc2O1)NC(C1C(C2C=CC1O2)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1803 |
| logD: | -1.0411 |
| logSw: | -1.8474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.477 |
| InChI Key: | HNTUQMMOQJZMPX-UHFFFAOYSA-N |