4-nitro-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
4-nitro-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
4-nitro-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0972 |
| Compound Name: | 4-nitro-N-(6-nitro-2-phenyl-1-benzofuran-4-yl)-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 436.38 |
| Molecular Formula: | C21 H16 N4 O7 |
| Smiles: | CC(C)c1c(c(C(Nc2cc(cc3c2cc(c2ccccc2)o3)[N+]([O-])=O)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.112 |
| logD: | 4.2931 |
| logSw: | -5.1332 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.625 |
| InChI Key: | BOUVMNFDYQURSJ-UHFFFAOYSA-N |