3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide--acetic acid (1/1)
Chemical Structure Depiction of
3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide--acetic acid (1/1)
3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8010-4125 |
| Compound Name: | 3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide--acetic acid (1/1) |
| Molecular Weight: | 509.5 |
| Molecular Formula: | C21 H15 N5 O5 S |
| Salt: | CH3COOH |
| Smiles: | Cc1c2cc(C(N/N=C/c3cc4c(cc3[N+]([O-])=O)OCO4)=O)sc2n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2678 |
| logD: | 4.2658 |
| logSw: | -4.3606 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.525 |
| InChI Key: | NUMDJWATVAXQPA-LSHDLFTRSA-N |