4-{1-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Chemical Structure Depiction of
4-{1-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
4-{1-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Compound characteristics
| Compound ID: | 3254-1672 |
| Compound Name: | 4-{1-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C30 H31 N5 O3 S |
| Smiles: | C\C(c1ccc(cc1)OC(C)=O)=N/NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1138 |
| logD: | 6.1135 |
| logSw: | -5.5793 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.125 |
| InChI Key: | PMHRUMGXQWDPMC-UHFFFAOYSA-N |