ethyl 6-amino-5-cyano-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-5-cyano-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-methyl-4H-pyran-3-carboxylate
ethyl 6-amino-5-cyano-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | Y502-1029 |
| Compound Name: | ethyl 6-amino-5-cyano-4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1c(C)nn(c2ccccc2)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3366 |
| logD: | 2.3366 |
| logSw: | -2.5991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.864 |
| InChI Key: | MWTKEQMHDZISAT-IBGZPJMESA-N |