methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate
methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | 3508-1345 |
| Compound Name: | methyl 2-(4-benzylpiperazin-1-yl)-5-nitrobenzoate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | COC(c1cc(ccc1N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.214 |
| logD: | 3.0686 |
| logSw: | -3.6227 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.486 |
| InChI Key: | YLJPMKACPODZQU-UHFFFAOYSA-N |