4-[1,3-dioxo-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Chemical Structure Depiction of
4-[1,3-dioxo-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
4-[1,3-dioxo-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid
Compound characteristics
| Compound ID: | 8008-7973 |
| Compound Name: | 4-[1,3-dioxo-2-(pyridin-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonyl]benzoic acid |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C20 H12 N2 O6 S |
| Smiles: | c1cc(ccc1C(O)=O)S(c1ccc2C(N(C(c2c1)=O)c1ccncc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5183 |
| logD: | -0.5395 |
| logSw: | -2.6748 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.217 |
| InChI Key: | UYKPICCNVBZOQR-UHFFFAOYSA-N |