methyl 4-(4-ethylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
Chemical Structure Depiction of
methyl 4-(4-ethylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
methyl 4-(4-ethylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
Compound characteristics
| Compound ID: | F019-2229 |
| Compound Name: | methyl 4-(4-ethylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1NC(c1cccc(c1C)[N+]([O-])=O)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7706 |
| logD: | 3.7706 |
| logSw: | -3.9415 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.575 |
| InChI Key: | HJASKSVJZHYQBY-UHFFFAOYSA-N |