4-{2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Chemical Structure Depiction of
4-{2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
4-{2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid
Compound characteristics
| Compound ID: | 8008-7958 |
| Compound Name: | 4-{2-[4-(methoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl}benzoic acid |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C23 H15 N O8 S |
| Smiles: | COC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)S(c1ccc(cc1)C(O)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.793 |
| logD: | 0.7352 |
| logSw: | -4.0008 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.963 |
| InChI Key: | RIAWQFXAJLIOHO-UHFFFAOYSA-N |