2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1569 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C29 H28 N6 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/C=C\c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.227 |
| logD: | 6.2268 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.798 |
| InChI Key: | SAVZZFAGUHSMIX-UHFFFAOYSA-N |