ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoate
Chemical Structure Depiction of
ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoate
ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-0094 |
| Compound Name: | ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitrobenzoate |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C19 H22 N2 O6 |
| Smiles: | CCOC(c1ccc(c(c1)[N+]([O-])=O)NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6025 |
| logD: | 3.6025 |
| logSw: | -3.9514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.712 |
| InChI Key: | VMNXOWBGYWVRNP-UHFFFAOYSA-N |