2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | IB01-3346 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | CC(C)c1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)OC)n2c2ccc(C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.36 |
| logD: | 6.36 |
| logSw: | -7.29 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 149.67 |
| InChI Key: | FDWFZPHNGSVPKU-UHFFFAOYSA-N |