N-benzyl-2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-benzyl-2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]hydrazine-1-carbothioamide
N-benzyl-2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y508-9008 |
| Compound Name: | N-benzyl-2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C23 H21 N7 O3 S |
| Smiles: | Cc1c2c(cc(c3cccc(c3)[N+]([O-])=O)nc2n(C)n1)C(NNC(NCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2781 |
| logD: | 3.1173 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.415 |
| InChI Key: | MZLDVEVSKDIPOM-UHFFFAOYSA-N |