N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0359 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C21 H15 N3 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1cccc(c1)c1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2002 |
| logD: | 5.2001 |
| logSw: | -5.0901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | JBTMASYUZXYOFG-UHFFFAOYSA-N |