5-hydroxy-2-{[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
5-hydroxy-2-{[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
5-hydroxy-2-{[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4334-1587 |
| Compound Name: | 5-hydroxy-2-{[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl]amino}benzoic acid |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CC(C)CCN1C(c2ccc(cc2C1=O)C(Nc1ccc(cc1C(O)=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2819 |
| logD: | -1.2729 |
| logSw: | -3.4091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.16 |
| InChI Key: | KGNAMEZQMIFWIM-UHFFFAOYSA-N |