2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Chemical Structure Depiction of
2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Compound characteristics
| Compound ID: | P207-8864 |
| Compound Name: | 2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid |
| Molecular Weight: | 279.36 |
| Molecular Formula: | C14 H17 N O3 S |
| Smiles: | C1CCN(C1)C(c1cc2CC(CCc2s1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9834 |
| logD: | -0.3993 |
| logSw: | -2.1743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.6 |
| InChI Key: | VBNCNNJLEHGNGY-SECBINFHSA-N |