methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1617 |
| Compound Name: | methyl 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-nitrobenzoate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9113 |
| logD: | 3.9113 |
| logSw: | -4.095 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.401 |
| InChI Key: | XDUJOGYGXAOYKO-UHFFFAOYSA-N |