3',5'-di-tert-butyl-7-nitro-2-phenyl-2H,4H-spiro[[1,4]benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Chemical Structure Depiction of
3',5'-di-tert-butyl-7-nitro-2-phenyl-2H,4H-spiro[[1,4]benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
3',5'-di-tert-butyl-7-nitro-2-phenyl-2H,4H-spiro[[1,4]benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one
Compound characteristics
| Compound ID: | 8009-6296 |
| Compound Name: | 3',5'-di-tert-butyl-7-nitro-2-phenyl-2H,4H-spiro[[1,4]benzoxazine-3,1'-cyclohexa[2,5]dien]-4'-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C27 H30 N2 O4 |
| Smiles: | CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)C(c1ccccc1)Oc1cc(ccc1N2)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.875 |
| logD: | 7.875 |
| logSw: | -5.7358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.253 |
| InChI Key: | WRCJNJHZYXADIT-XMMPIXPASA-N |