4-hexyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Chemical Structure Depiction of
4-hexyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
4-hexyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Compound characteristics
| Compound ID: | 2255-1570 |
| Compound Name: | 4-hexyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CCCCCCc1ccc(cc1)C(NC1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6861 |
| logD: | 5.678 |
| logSw: | -5.3087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.596 |
| InChI Key: | MZKSDYROCZUXEE-UHFFFAOYSA-N |