4-chloro-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
4-chloro-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2152-0325 |
| Compound Name: | 4-chloro-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C22 H17 Cl N4 O4 |
| Smiles: | CN(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8517 |
| logD: | 4.7262 |
| logSw: | -5.0563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.025 |
| InChI Key: | IOXSEAYWWHMGGZ-UHFFFAOYSA-N |