methyl 2-(2-{cyano[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylidene}hydrazinyl)benzoate
Chemical Structure Depiction of
methyl 2-(2-{cyano[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylidene}hydrazinyl)benzoate
methyl 2-(2-{cyano[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylidene}hydrazinyl)benzoate
Compound characteristics
| Compound ID: | 8012-9798 |
| Compound Name: | methyl 2-(2-{cyano[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]methylidene}hydrazinyl)benzoate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C24 H20 N6 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)c1csc(C(/C#N)=N/Nc2ccccc2C(=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5099 |
| logD: | 4.5095 |
| logSw: | -4.4446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.423 |
| InChI Key: | CGFIHAIUGBQXLN-UHFFFAOYSA-N |