2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-3466 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 388.29 |
| Molecular Formula: | C16 H12 N4 O8 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6343 |
| logD: | 1.6343 |
| logSw: | -1.9634 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 120.018 |
| InChI Key: | KWLHVYLRAPZUMP-UHFFFAOYSA-N |