4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl acetate
4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3254-1856 |
| Compound Name: | 4-[(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl acetate |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCn1c(c2ccccc2)nnc1SCC(N/N=C/c1ccc(c(c1)OC)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2274 |
| logD: | 3.2273 |
| logSw: | -3.5473 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.808 |
| InChI Key: | RTPBCHOBSMNTGY-UHFFFAOYSA-N |