N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)-5-nitrobenzamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)-5-nitrobenzamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8014-2050 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)-5-nitrobenzamide |
| Molecular Weight: | 396.36 |
| Molecular Formula: | C19 H16 N4 O6 |
| Smiles: | C1COCCN1c1ccc(cc1C(Nc1cc2c(cc1C#N)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3766 |
| logD: | 0.7139 |
| logSw: | -3.186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.245 |
| InChI Key: | NXJCXOCRYDRFAH-UHFFFAOYSA-N |