2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 8010-1931 |
| Compound Name: | 2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 275.32 |
| Molecular Formula: | C14 H13 N O3 S |
| Smiles: | C1CCc2c(C1)c(C(O)=O)c(n1cccc1C=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0965 |
| logD: | 1.2725 |
| logSw: | -3.1772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.325 |
| InChI Key: | RLHUXDYMGCWXPO-UHFFFAOYSA-N |