methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0036 |
| Compound Name: | methyl 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrobenzoate |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H21 N3 O6 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCN(CC1)c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7885 |
| logD: | 2.7885 |
| logSw: | -3.2719 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.032 |
| InChI Key: | MVKXRBMTBWLGKK-UHFFFAOYSA-N |