2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylate
Chemical Structure Depiction of
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylate
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylate
Compound characteristics
| Compound ID: | 8017-4979 |
| Compound Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylate |
| Molecular Weight: | 393.35 |
| Molecular Formula: | C20 H15 N3 O6 |
| Smiles: | Cc1ncc([N+]([O-])=O)n1CCOC(C1=Cc2c(ccc3ccccc23)OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8049 |
| logD: | 2.8049 |
| logSw: | -3.2793 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.365 |
| InChI Key: | NWPRHKMIODEBIK-UHFFFAOYSA-N |