N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
Chemical Structure Depiction of
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
Compound characteristics
| Compound ID: | 2081-0694 |
| Compound Name: | N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide |
| Molecular Weight: | 441.71 |
| Molecular Formula: | C21 H14 Br Cl N2 O2 |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)nc(c1cc(ccc1[Cl])[Br])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1177 |
| logD: | 6.1135 |
| logSw: | -6.1242 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.14 |
| InChI Key: | VMKJIYJVHVBZCT-UHFFFAOYSA-N |