2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | 3254-1633 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide |
| Molecular Weight: | 535.67 |
| Molecular Formula: | C31 H29 N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1c(ccc2ccccc12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4064 |
| logD: | 7.4045 |
| logSw: | -6.5877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.363 |
| InChI Key: | OYHFZZNVQDWKBF-UHFFFAOYSA-N |