2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Compound characteristics
| Compound ID: | P207-8860 |
| Compound Name: | 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid |
| Molecular Weight: | 307.41 |
| Molecular Formula: | C16 H21 N O3 S |
| Smiles: | C1CCCN(CC1)C(c1cc2CC(CCc2s1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7666 |
| logD: | 0.3839 |
| logSw: | -2.8177 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.565 |
| InChI Key: | OXBMJUYCZZRZGZ-LLVKDONJSA-N |