N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2081-0712 |
| Compound Name: | N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide |
| Molecular Weight: | 517.68 |
| Molecular Formula: | C20 H10 Br Cl N4 O6 |
| Smiles: | c1cc2c(cc1NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)nc(c1cc(ccc1[Cl])[Br])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.6921 |
| logD: | 5.3557 |
| logSw: | -6.0993 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.602 |
| InChI Key: | IOQUGOVTEOMYNZ-UHFFFAOYSA-N |