3-{[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7853 |
| Compound Name: | 3-{[3-(cyclopropylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 444.59 |
| Molecular Formula: | C24 H32 N2 O4 S |
| Smiles: | CCC1CCc2c(C(NC3CC3)=O)c(NC(C3C4CCC(CC4)C3C(O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4261 |
| logD: | 1.8061 |
| logSw: | -4.4732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.035 |
| InChI Key: | COGSIPNZUBGEDC-UHFFFAOYSA-N |