2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-4977 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 373.32 |
| Molecular Formula: | C17 H15 N3 O7 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(C1=Cc2cccc(c2OC1=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6181 |
| logD: | 1.6181 |
| logSw: | -1.7182 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.951 |
| InChI Key: | XKNFBQFUWUPDBG-UHFFFAOYSA-N |