4-butyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Chemical Structure Depiction of
4-butyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
4-butyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide
Compound characteristics
| Compound ID: | 2255-1621 |
| Compound Name: | 4-butyl-N-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)benzamide |
| Molecular Weight: | 366.37 |
| Molecular Formula: | C20 H18 N2 O5 |
| Smiles: | CCCCc1ccc(cc1)C(NC1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6358 |
| logD: | 4.6276 |
| logSw: | -4.5789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.596 |
| InChI Key: | ZZLGXFQOOBARSI-UHFFFAOYSA-N |