3-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
Chemical Structure Depiction of
3-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
3-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid
Compound characteristics
Compound ID: | 2372-2921 |
Compound Name: | 3-[4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid |
Molecular Weight: | 431.36 |
Molecular Formula: | C22 H13 N3 O7 |
Smiles: | c1cc(cc(c1)NC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.6428 |
logD: | 0.7569 |
logSw: | -4.0002 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 113.761 |
InChI Key: | ZCFMGCXPTOYCQQ-UHFFFAOYSA-N |