N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-2371 |
| Compound Name: | N-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C22 H31 N3 O5 |
| Smiles: | CC1CC(C)CN(C1)C(C(NC1CCCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4699 |
| logD: | 3.4527 |
| logSw: | -4.3497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.465 |
| InChI Key: | PRHBYPNOJYQGAP-UHFFFAOYSA-N |