6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y204-1361 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C15 H15 N O5 |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9557 |
| logD: | -0.4001 |
| logSw: | -2.547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.045 |
| InChI Key: | JTNGNKFRLSZNJZ-UHFFFAOYSA-N |