2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-3,5-dimethyl-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-3,5-dimethyl-6-nitrophenol
2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-3,5-dimethyl-6-nitrophenol
Compound characteristics
| Compound ID: | 8005-7440 |
| Compound Name: | 2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-chloro-3,5-dimethyl-6-nitrophenol |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C26 H24 Cl N3 O4 |
| Smiles: | Cc1c(/C=N/c2ccc3c(c2)nc(c2ccc(cc2)C(C)(C)C)o3)c(c(c(C)c1[Cl])[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.9962 |
| logD: | 6.2162 |
| logSw: | -6.328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.435 |
| InChI Key: | HMQDATSWRULVCM-UHFFFAOYSA-N |