N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)hydrazine-1-carbothioamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y508-9007 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-2-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 503.41 |
| Molecular Formula: | C21 H20 Cl2 N8 O S |
| Smiles: | Cc1cc(C(NNC(Nc2cnn(Cc3ccc(c(c3)[Cl])[Cl])c2)=S)=O)c2c(C)nn(C)c2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9663 |
| logD: | 2.8065 |
| logSw: | -3.5928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.295 |
| InChI Key: | XJEXJSFOYIIOEF-UHFFFAOYSA-N |