4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoic acid
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoic acid
Compound characteristics
Compound ID: | K781-0469 |
Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoic acid |
Molecular Weight: | 346.34 |
Molecular Formula: | C17 H18 N2 O6 |
Smiles: | COc1ccc(CCNc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 2.9445 |
logD: | 0.1248 |
logSw: | -3.3664 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.366 |
InChI Key: | KOCALSLUENBTBQ-UHFFFAOYSA-N |