2-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Chemical Structure Depiction of
2-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
2-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Compound characteristics
| Compound ID: | P207-8876 |
| Compound Name: | 2-(diethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid |
| Molecular Weight: | 281.37 |
| Molecular Formula: | C14 H19 N O3 S |
| Smiles: | CCN(CC)C(c1cc2CC(CCc2s1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9214 |
| logD: | -0.4614 |
| logSw: | -2.0686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.518 |
| InChI Key: | RMJAJLPAIWIMLD-SECBINFHSA-N |