2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 8755-0189 |
| Compound Name: | 2-(4-methylbenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C17 H17 N O3 S |
| Smiles: | Cc1ccc(cc1)C(Nc1c(C(O)=O)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.869 |
| logD: | 0.5615 |
| logSw: | -4.2504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.453 |
| InChI Key: | OJMANMVCSXEGQL-UHFFFAOYSA-N |