N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0492 |
| Compound Name: | N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)NC(c1ccccc1[N+]([O-])=O)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.066 |
| logD: | 4.8278 |
| logSw: | -5.2255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | LGDFAUUPAWWWIO-UHFFFAOYSA-N |