4-{1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-2408 |
| Compound Name: | 4-{1,3-dioxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C21 H14 N2 O6 S |
| Smiles: | C(c1cccnc1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.598 |
| logD: | -0.4598 |
| logSw: | -2.9067 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.918 |
| InChI Key: | VBJWCIUIMUOSNN-UHFFFAOYSA-N |