3-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-6758 |
| Compound Name: | 3-[(5-benzyl-3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | C1CC2C=CC1C(C2C(Nc1c(cc(Cc2ccccc2)s1)C(N)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8542 |
| logD: | 0.529 |
| logSw: | -3.4764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.432 |
| InChI Key: | DIBMWTRICLPVDY-UHFFFAOYSA-N |