4-chloro-3,5-dimethyl-2-nitro-6-({[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl)phenol
Chemical Structure Depiction of
4-chloro-3,5-dimethyl-2-nitro-6-({[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl)phenol
4-chloro-3,5-dimethyl-2-nitro-6-({[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl)phenol
Compound characteristics
| Compound ID: | 8003-6895 |
| Compound Name: | 4-chloro-3,5-dimethyl-2-nitro-6-({[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]imino}methyl)phenol |
| Molecular Weight: | 422.83 |
| Molecular Formula: | C21 H15 Cl N4 O4 |
| Smiles: | Cc1c(/C=N/c2ccc3c(c2)nc(c2ccncc2)o3)c(c(c(C)c1[Cl])[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.9527 |
| logD: | 3.1727 |
| logSw: | -4.7611 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.863 |
| InChI Key: | PGWXGJLWBYRKIU-UHFFFAOYSA-N |