N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-3,5-dinitrobenzamide
N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8004-3782 |
| Compound Name: | N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-3,5-dinitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C19 H21 N3 O6 |
| Smiles: | CC(C)c1ccc(C)cc1OCCNC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7613 |
| logD: | 4.7612 |
| logSw: | -4.4387 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.761 |
| InChI Key: | WKIVGOPDRDPWBD-UHFFFAOYSA-N |