2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(furan-2-yl)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-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1554 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[3-(furan-2-yl)prop-2-en-1-ylidene]acetohydrazide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/C=C\c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5356 |
| logD: | 5.5354 |
| logSw: | -5.5048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.467 |
| InChI Key: | LKQMEKAAQKIWPY-UHFFFAOYSA-N |