(2-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Chemical Structure Depiction of
(2-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
(2-cyanophenyl)methyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Compound characteristics
| Compound ID: | 8016-6657 |
| Compound Name: | (2-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)OCc2ccccc2C#N)n1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0444 |
| logD: | 1.0444 |
| logSw: | -2.1004 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.794 |
| InChI Key: | OEFLKHKXHDKOEX-UHFFFAOYSA-N |