2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-({3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Chemical Structure Depiction of
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-({3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-({3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Compound characteristics
| Compound ID: | Y501-9181 |
| Compound Name: | 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-({3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene)acetohydrazide |
| Molecular Weight: | 684.51 |
| Molecular Formula: | C27 H26 Br F4 N7 O3 S |
| Smiles: | CCn1c(Cn2c(cc(C(F)F)n2)C(F)F)nnc1SCC(N/N=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2994 |
| logD: | 4.2994 |
| logSw: | -4.322 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.404 |
| InChI Key: | NKROELDHGRBMTO-UHFFFAOYSA-N |