2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
Chemical Structure Depiction of
2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y501-9436 |
| Compound Name: | 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide |
| Molecular Weight: | 612.1 |
| Molecular Formula: | C30 H28 Cl F2 N5 O3 S |
| Smiles: | CCn1c(C2CC2c2ccc(cc2)[Cl])nnc1SCC(N/N=C/c1ccc(c(COc2ccc(cc2F)F)c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3026 |
| logD: | 6.3023 |
| logSw: | -6.3937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.536 |
| InChI Key: | FFIQLZGBFWDJHP-UHFFFAOYSA-N |