2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]acetohydrazide
Chemical Structure Depiction of
2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]acetohydrazide
2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y501-7303 |
| Compound Name: | 2-({5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)ethylidene]acetohydrazide |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C22 H27 N7 O5 S |
| Smiles: | CC1=CC(=C(C(\C)=N/NC(CSc2nnc(c3cc(C)n(C)n3)n2CC2CCCO2)=O)C(=O)O1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5204 |
| logD: | -3.3862 |
| logSw: | -1.6769 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.676 |
| InChI Key: | CYZHNGUMXPMBBJ-OAHLLOKOSA-N |