butyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Chemical Structure Depiction of
butyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
butyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Compound characteristics
Compound ID: | 4872-0368 |
Compound Name: | butyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate |
Molecular Weight: | 322.27 |
Molecular Formula: | C13 H14 N4 O6 |
Smiles: | CCCCOC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0808 |
logD: | 1.0186 |
logSw: | -3.3422 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 109.545 |
InChI Key: | IDNXWCBDVJESCX-UHFFFAOYSA-N |