N-butyl-2-{[2-(butylcarbamoyl)-3,5-dinitrophenyl]-NNO-azoxy}-4,6-dinitrobenzamide
Chemical Structure Depiction of
N-butyl-2-{[2-(butylcarbamoyl)-3,5-dinitrophenyl]-NNO-azoxy}-4,6-dinitrobenzamide
N-butyl-2-{[2-(butylcarbamoyl)-3,5-dinitrophenyl]-NNO-azoxy}-4,6-dinitrobenzamide
Compound characteristics
| Compound ID: | 8010-6032 |
| Compound Name: | N-butyl-2-{[2-(butylcarbamoyl)-3,5-dinitrophenyl]-NNO-azoxy}-4,6-dinitrobenzamide |
| Molecular Weight: | 576.48 |
| Molecular Formula: | C22 H24 N8 O11 |
| Smiles: | CCCCNC(c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)/N=[N+](/c1cc(cc(c1C(NCCCC)=O)[N+]([O-])=O)[N+]([O-])=O)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7359 |
| logD: | 3.7278 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 23 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 211.33 |
| InChI Key: | NKVCEFMCCVXHAZ-UHFFFAOYSA-N |