N-{1-[2-({3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl}benzamide
Chemical Structure Depiction of
N-{1-[2-({3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl}benzamide
N-{1-[2-({3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl}benzamide
Compound characteristics
| Compound ID: | K087-0416 |
| Compound Name: | N-{1-[2-({3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene)hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl}benzamide |
| Molecular Weight: | 520.03 |
| Molecular Formula: | C29 H30 Cl N3 O4 |
| Smiles: | CC(C)=C(C(N/N=C/c1ccc(c(COc2cc(C)c(c(C)c2)[Cl])c1)OC)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2838 |
| logD: | 3.9144 |
| logSw: | -6.3933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.001 |
| InChI Key: | CUAREZBPLKCQQL-UHFFFAOYSA-N |