methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
Chemical Structure Depiction of
methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate
Compound characteristics
| Compound ID: | F019-1893 |
| Compound Name: | methyl 4-(4-acetylpiperazin-1-yl)-3-(2-methyl-3-nitrobenzamido)benzoate |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H24 N4 O6 |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1NC(c1cccc(c1C)[N+]([O-])=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.25 |
| logD: | 1.9348 |
| logSw: | -3.7525 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.233 |
| InChI Key: | ZUHTXGWLAICDKS-UHFFFAOYSA-N |