propyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Chemical Structure Depiction of
propyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
propyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate
Compound characteristics
| Compound ID: | 4859-0007 |
| Compound Name: | propyl nitro(5-nitro-1,3-dihydro-2H-benzimidazol-2-ylidene)acetate |
| Molecular Weight: | 308.25 |
| Molecular Formula: | C12 H12 N4 O6 |
| Smiles: | CCCOC(\C(=C1/Nc2ccc(cc2N1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6079 |
| logD: | 0.5456 |
| logSw: | -2.9477 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.545 |
| InChI Key: | CRNSEIUDEZFFBL-UHFFFAOYSA-N |