3-[(3,5-bis{[(propan-2-yl)oxy]carbonyl}phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(3,5-bis{[(propan-2-yl)oxy]carbonyl}phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(3,5-bis{[(propan-2-yl)oxy]carbonyl}phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6049-0054 |
| Compound Name: | 3-[(3,5-bis{[(propan-2-yl)oxy]carbonyl}phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C22 H25 N O8 |
| Smiles: | CC(C)OC(c1cc(cc(c1)NC(C1C(C2C=CC1O2)C(O)=O)=O)C(=O)OC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0458 |
| logD: | 0.8245 |
| logSw: | -3.2153 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.227 |
| InChI Key: | GZECYWSMZIKHJK-UHFFFAOYSA-N |