3-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6049-0080 |
| Compound Name: | 3-{[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C20 H21 N O8 |
| Smiles: | CCOC(c1cc(cc(c1)NC(C1C(C2C=CC1O2)C(O)=O)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8574 |
| logD: | 0.636 |
| logSw: | -3.0609 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.869 |
| InChI Key: | SKHFQSMLRAGBOO-UHFFFAOYSA-N |