2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y500-7462 |
| Compound Name: | 2-[1,3-dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C21 H23 N7 O4 S |
| Smiles: | Cc1c2c(cc(c3cccc(c3)[N+]([O-])=O)nc2n(C)n1)C(NNC(NCC1CCCO1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1202 |
| logD: | 1.8003 |
| logSw: | -3.1038 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.07 |
| InChI Key: | RSGBLDVTGPKKHI-OAHLLOKOSA-N |