3-({4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-({4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-({4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6049-1370 |
| Compound Name: | 3-({4-[(4-methylbenzene-1-sulfonyl)amino]phenyl}carbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1)NC(C1C(C2C=CC1O2)C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5469 |
| logD: | 0.3255 |
| logSw: | -3.0446 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.012 |
| InChI Key: | KQWJDELWBIHFNL-UHFFFAOYSA-N |