ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3237-1181 |
| Compound Name: | ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CCOC(c1c(csc1N/C=C1\C(C)=NN(C1=O)c1ccccc1)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1932 |
| logD: | 5.1269 |
| logSw: | -5.1471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.464 |
| InChI Key: | KPPSLOPPLQGBNL-UHFFFAOYSA-N |