4-tert-butyl-N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
4-tert-butyl-N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Compound characteristics
| Compound ID: | 2339-2173 |
| Compound Name: | 4-tert-butyl-N-(8-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=Cc2cccc(c2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5784 |
| logD: | 4.5703 |
| logSw: | -4.5405 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.98 |
| InChI Key: | HCKWMTHDVZNHHE-UHFFFAOYSA-N |