2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide
Chemical Structure Depiction of
2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide
2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2152-0253 |
| Compound Name: | 2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide |
| Molecular Weight: | 481.3 |
| Molecular Formula: | C22 H17 Br N4 O4 |
| Smiles: | CN(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1cc(ccc1[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0609 |
| logD: | 4.9354 |
| logSw: | -4.7235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.326 |
| InChI Key: | VPEWSHIEUMHMPD-UHFFFAOYSA-N |