3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y509-0583 |
| Compound Name: | 3-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Smiles: | CCCC1CCc2c(C(N)=O)c(NC(C3C4CCC(C4)C3C(O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5993 |
| logD: | -0.0207 |
| logSw: | -2.8933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 86.356 |
| InChI Key: | JCIATHCRWRGVQJ-UHFFFAOYSA-N |