2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-6396 |
| Compound Name: | 2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C19 H28 N8 O3 S2 |
| Smiles: | Cn1ccc(c2nnc(n2CC2CCCO2)SCC(NNC(NCC2CCCO2)=S)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5477 |
| logD: | -0.655 |
| logSw: | -1.9025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.278 |
| InChI Key: | PTVYCQKANCVYAR-UHFFFAOYSA-N |