4-({5-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenyl}methoxy)benzonitrile
Chemical Structure Depiction of
4-({5-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenyl}methoxy)benzonitrile
4-({5-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenyl}methoxy)benzonitrile
Compound characteristics
| Compound ID: | Y502-4718 |
| Compound Name: | 4-({5-[({3-[chloro(difluoro)methyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-2-methoxyphenyl}methoxy)benzonitrile |
| Molecular Weight: | 449.86 |
| Molecular Formula: | C19 H14 Cl F2 N5 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)(F)[Cl])nnc2S)cc1COc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6039 |
| logD: | 2.8581 |
| logSw: | -4.1693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.264 |
| InChI Key: | MKLGPSJZJULTAQ-UHFFFAOYSA-N |