2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Chemical Structure Depiction of
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1999 |
| Compound Name: | 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 466.52 |
| Molecular Formula: | C22 H22 N6 O4 S |
| Smiles: | CCn1c(c2ccc(cc2)OC)nnc1SCC(N/N=C/C=C\c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5784 |
| logD: | 3.5781 |
| logSw: | -3.7853 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.595 |
| InChI Key: | BRHAHRWMYXBSMZ-UHFFFAOYSA-N |