2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-8454 |
| Compound Name: | 2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | C1CCC(C(C1)C(O)=O)C(Nc1c(C#N)c2CCCc2s1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5503 |
| logD: | -0.1004 |
| logSw: | -2.9055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.067 |
| InChI Key: | NJMKBXYBPXZXPL-UHFFFAOYSA-N |