2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | C094-0148 |
| Compound Name: | 2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C21 H22 N4 O7 |
| Smiles: | COc1ccc(cc1)NC(C(c1cc2c(cc1[N+]([O-])=O)OCO2)N1CCN(CC1)C=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6973 |
| logD: | 1.6973 |
| logSw: | -2.3405 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.563 |
| InChI Key: | ZSOIADYLSVAFHZ-HXUWFJFHSA-N |