N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0126 |
| Compound Name: | N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C23 H19 N3 O4 |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1cccc(c1)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.9051 |
| logD: | 5.9051 |
| logSw: | -5.5256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.453 |
| InChI Key: | IMXHUZQJEMDWTM-UHFFFAOYSA-N |