4-{[2-(cyanoacetyl)hydrazinylidene]methyl}-2-methoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-{[2-(cyanoacetyl)hydrazinylidene]methyl}-2-methoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate
4-{[2-(cyanoacetyl)hydrazinylidene]methyl}-2-methoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8007-2057 |
| Compound Name: | 4-{[2-(cyanoacetyl)hydrazinylidene]methyl}-2-methoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C20 H14 Cl N3 O4 S |
| Smiles: | COc1cc(/C=N/NC(CC#N)=O)ccc1OC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9259 |
| logD: | 3.903 |
| logSw: | -4.8322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.946 |
| InChI Key: | UCUXNHSADXZBGA-UHFFFAOYSA-N |