N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2365 |
| Compound Name: | N-cyclohexyl-2-(4-formylpiperazin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C20 H26 N4 O6 |
| Smiles: | C1CCC(CC1)NC(C(c1cc2c(cc1[N+]([O-])=O)OCO2)N1CCN(CC1)C=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.785 |
| logD: | 1.7801 |
| logSw: | -2.3723 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.067 |
| InChI Key: | ZQLGSNQYKBUJKK-LJQANCHMSA-N |