4-tert-butyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
4-tert-butyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | 2081-0533 |
| Compound Name: | 4-tert-butyl-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C27 H25 N O3 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4095 |
| logD: | 6.4089 |
| logSw: | -5.6991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.98 |
| InChI Key: | HZVKMUPSECVXSO-UHFFFAOYSA-N |