2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-4980 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-bromo-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 422.19 |
| Molecular Formula: | C16 H12 Br N3 O6 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4086 |
| logD: | 2.4086 |
| logSw: | -2.7425 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.636 |
| InChI Key: | WKFIGQQEUIDESL-UHFFFAOYSA-N |