(4-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Chemical Structure Depiction of
(4-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
(4-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Compound characteristics
| Compound ID: | 8016-2072 |
| Compound Name: | (4-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C14 H12 N4 O4 |
| Smiles: | Cc1nc(c(C(=O)OCc2ccc(C#N)cc2)n1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1088 |
| logD: | 1.1088 |
| logSw: | -1.8819 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.794 |
| InChI Key: | LORJAYIYXWOUEZ-UHFFFAOYSA-N |