ethyl 5-ethyl-2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-ethyl-2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-3-carboxylate
ethyl 5-ethyl-2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2729-0413 |
| Compound Name: | ethyl 5-ethyl-2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-3-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCc1cc(C(=O)OCC)c(N/C=C2/C(C)=NN(C2=O)c2ccc(C)cc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.728 |
| logD: | 2.9497 |
| logSw: | -4.5162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.736 |
| InChI Key: | VAUDIEHNDDTBHO-UHFFFAOYSA-N |