5-bromo-2-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
Chemical Structure Depiction of
5-bromo-2-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
5-bromo-2-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | 3226-2119 |
| Compound Name: | 5-bromo-2-[2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamido]benzoic acid |
| Molecular Weight: | 448.18 |
| Molecular Formula: | C17 H10 Br N3 O7 |
| Smiles: | C(C(Nc1ccc(cc1C(O)=O)[Br])=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7059 |
| logD: | -1.8333 |
| logSw: | -3.1009 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.732 |
| InChI Key: | HCPOKNFKTXLRLO-UHFFFAOYSA-N |