ethyl 4-cyano-3-methyl-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-3-methyl-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
ethyl 4-cyano-3-methyl-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8002-6842 |
| Compound Name: | ethyl 4-cyano-3-methyl-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N/C=C2\C(C)=NN(C2=O)c2ccc(C)cc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7934 |
| logD: | 2.165 |
| logSw: | -4.1368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.792 |
| InChI Key: | KKNYYGUAZDFHGI-UHFFFAOYSA-N |