4-[(E)-(2-{[4-(cyanomethyl)anilino](oxo)acetyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[(E)-(2-{[4-(cyanomethyl)anilino](oxo)acetyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
4-[(E)-(2-{[4-(cyanomethyl)anilino](oxo)acetyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | IB07-6381 |
| Compound Name: | 4-[(E)-(2-{[4-(cyanomethyl)anilino](oxo)acetyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C23 H18 N4 O5 S |
| Smiles: | COc1cc(/C=N/NC(C(Nc2ccc(CC#N)cc2)=O)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.05 |
| logD: | 2.52 |
| logSw: | -3.95 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 189.36 |
| InChI Key: | RDUVDDGBCHJBSL-UHFFFAOYSA-N |