4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3254-1986 |
| Compound Name: | 4-{[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | CCn1c(c2ccc(cc2)OC)nnc1SCC(N/N=C/c1ccc(c(c1)OC)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3148 |
| logD: | 3.3147 |
| logSw: | -3.6769 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.351 |
| InChI Key: | TUMAPANTSIMMHO-UHFFFAOYSA-N |