N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0402 |
| Compound Name: | N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7254 |
| logD: | 5.7063 |
| logSw: | -6.0043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | NKKNJBMIKIADKM-UHFFFAOYSA-N |