3-{[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
3-{[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8065 |
| Compound Name: | 3-{[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C23 H30 N2 O4 S |
| Smiles: | CCc1c(C(NC2CCCC2)=O)c(NC(C2C3CCC(C=C3)C2C(O)=O)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9521 |
| logD: | 1.6269 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.149 |
| InChI Key: | XHKGMHADQPRWBR-UHFFFAOYSA-N |