N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]-2-chlorobenzamide
N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | F263-0180 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-4-oxo-4H-1-benzopyran-7-yl]-2-chlorobenzamide |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C26 H22 Cl N O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=CC(c2ccc(cc2O1)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.218 |
| logD: | 6.9842 |
| logSw: | -6.3302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.876 |
| InChI Key: | SYONEMPFDFBGES-UHFFFAOYSA-N |