N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0448 |
| Compound Name: | N-{4-chloro-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-nitrobenzamide |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C23 H18 Cl N3 O4 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1cc(ccc1[Cl])NC(c1ccccc1[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.0366 |
| logD: | 5.8334 |
| logSw: | -6.0999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | ZDNYQWMBJRWRBF-UHFFFAOYSA-N |