2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 3-(1,1,2,2-tetrafluoroethoxy)benzoate
Chemical Structure Depiction of
2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 3-(1,1,2,2-tetrafluoroethoxy)benzoate
2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 3-(1,1,2,2-tetrafluoroethoxy)benzoate
Compound characteristics
| Compound ID: | 8016-1220 |
| Compound Name: | 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl 3-(1,1,2,2-tetrafluoroethoxy)benzoate |
| Molecular Weight: | 391.28 |
| Molecular Formula: | C15 H13 F4 N3 O5 |
| Smiles: | Cc1cnc([N+]([O-])=O)n1CCOC(c1cccc(c1)OC(C(F)F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2472 |
| logSw: | -3.3528 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.394 |
| InChI Key: | IRXMMQQVMUFVPF-UHFFFAOYSA-N |