N-tert-butyl-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Chemical Structure Depiction of
N-tert-butyl-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
N-tert-butyl-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide
Compound characteristics
| Compound ID: | 4872-0263 |
| Compound Name: | N-tert-butyl-2-nitro-2-(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetamide |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C13 H15 N5 O5 |
| Smiles: | CC(C)(C)NC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3496 |
| logD: | 1.7106 |
| logSw: | -2.9794 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.006 |
| InChI Key: | BCTUJUIENUNROO-UHFFFAOYSA-N |