2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-methyl-3-phenylprop-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'-(2-methyl-3-phenylprop-2-en-1-ylidene)acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-methyl-3-phenylprop-2-en-1-ylidene)acetohydrazide
Compound characteristics
| Compound ID: | 3254-1628 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-methyl-3-phenylprop-2-en-1-ylidene)acetohydrazide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C30 H31 N5 O S |
| Smiles: | C/C(=C\c1ccccc1)/C=N/NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6 |
| logD: | 7.5992 |
| logSw: | -5.7764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.086 |
| InChI Key: | CWHGJDQEJVCBBH-UHFFFAOYSA-N |