N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1141-0049 |
| Compound Name: | N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 497.26 |
| Molecular Formula: | C21 H13 Br N4 O6 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cccc(c1)[Br])o2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1913 |
| logD: | 4.9697 |
| logSw: | -5.1865 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.301 |
| InChI Key: | DGGHUBVZVJULCN-UHFFFAOYSA-N |