ethyl 4-cyano-3-methyl-5-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-3-methyl-5-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate
ethyl 4-cyano-3-methyl-5-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y500-1001 |
| Compound Name: | ethyl 4-cyano-3-methyl-5-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N/C=C2/C(C)=NN(C2=O)c2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2484 |
| logD: | 1.6201 |
| logSw: | -3.4514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.792 |
| InChI Key: | FFACTAVEYJYXOH-UHFFFAOYSA-N |