N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-tert-butylbenzamide
Chemical Structure Depiction of
N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-tert-butylbenzamide
N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | G411-0224 |
| Compound Name: | N-[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-tert-butylbenzamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C27 H26 N2 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1734 |
| logD: | 4.8424 |
| logSw: | -5.1293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.884 |
| InChI Key: | XWSHCIQBSUMIHI-UHFFFAOYSA-N |