(2-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid
Chemical Structure Depiction of
(2-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid
(2-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid
Compound characteristics
| Compound ID: | 3254-1668 |
| Compound Name: | (2-{[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N/N=C/c1ccccc1OCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1725 |
| logD: | 1.9356 |
| logSw: | -5.544 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.056 |
| InChI Key: | COIBHOLJQGQTGX-UHFFFAOYSA-N |