N-(2,4-dimethylphenyl)-2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazine-1-carbothioamide
N-(2,4-dimethylphenyl)-2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-7564 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-[({5-(1-methyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C22 H28 N8 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(NNC(CSc1nnc(c2ccn(C)n2)n1CC1CCCO1)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8092 |
| logD: | 1.8085 |
| logSw: | -2.4901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.604 |
| InChI Key: | UYIGXDSRIQPPBB-MRXNPFEDSA-N |