3-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-3066 |
| Compound Name: | 3-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | C(CNS(c1ccc(cc1)NC(C1C(C2C=CC1O2)C(O)=O)=O)(=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2175 |
| logD: | -0.0039 |
| logSw: | -2.7712 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.962 |
| InChI Key: | XBOKQNSWCGYWGW-UHFFFAOYSA-N |