N-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
N-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-0147 |
| Compound Name: | N-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C22 H25 N3 O6 |
| Smiles: | CC1CCCN(C1)C(C(Nc1ccc(cc1)OC)=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7449 |
| logD: | 3.7262 |
| logSw: | -4.0792 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.028 |
| InChI Key: | NKXMSFDXZUUCJC-UHFFFAOYSA-N |