4-chloro-3,5-dimethyl-2-({[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-chloro-3,5-dimethyl-2-({[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
4-chloro-3,5-dimethyl-2-({[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8006-2322 |
| Compound Name: | 4-chloro-3,5-dimethyl-2-({[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C23 H18 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1)c1nc2cc(ccc2o1)/N=C/c1c(C)c(c(C)c(c1O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6252 |
| logD: | 4.8451 |
| logSw: | -6.0934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.435 |
| InChI Key: | KLABRGBVFCEJIU-UHFFFAOYSA-N |