methyl 4-(4-acetylpiperazin-1-yl)-3-(3-nitrobenzamido)benzoate
Chemical Structure Depiction of
methyl 4-(4-acetylpiperazin-1-yl)-3-(3-nitrobenzamido)benzoate
methyl 4-(4-acetylpiperazin-1-yl)-3-(3-nitrobenzamido)benzoate
Compound characteristics
| Compound ID: | F019-1840 |
| Compound Name: | methyl 4-(4-acetylpiperazin-1-yl)-3-(3-nitrobenzamido)benzoate |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C21 H22 N4 O6 |
| Smiles: | CC(N1CCN(CC1)c1ccc(cc1NC(c1cccc(c1)[N+]([O-])=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.955 |
| logD: | 2.1295 |
| logSw: | -3.4932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.534 |
| InChI Key: | PBOQTMBVNUUCTD-UHFFFAOYSA-N |