3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8017-6139 |
| Compound Name: | 3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C14 H11 N O3 S |
| Smiles: | C1c2cccc(C(O)=O)c2C(N1Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4404 |
| logD: | -1.3596 |
| logSw: | -2.7082 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.311 |
| InChI Key: | VWVPWLGLDOABBA-UHFFFAOYSA-N |