N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-tert-butylbenzamide
Chemical Structure Depiction of
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-tert-butylbenzamide
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | 2339-2172 |
| Compound Name: | N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-tert-butylbenzamide |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C20 H18 Br N O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2353 |
| logD: | 5.1895 |
| logSw: | -5.2169 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.215 |
| InChI Key: | BMJCQAFWCFQEFD-UHFFFAOYSA-N |