N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1889-0478 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dinitrobenzamide |
| Molecular Weight: | 375.34 |
| Molecular Formula: | C17 H17 N3 O7 |
| Smiles: | COc1ccc(CCNC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1019 |
| logD: | 2.1018 |
| logSw: | -2.877 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.517 |
| InChI Key: | XIXBBUKGJPBSAD-UHFFFAOYSA-N |