ethyl 4-(4-bromophenyl)-2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromophenyl)-2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-3-carboxylate
ethyl 4-(4-bromophenyl)-2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3237-1182 |
| Compound Name: | ethyl 4-(4-bromophenyl)-2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 510.41 |
| Molecular Formula: | C24 H20 Br N3 O3 S |
| Smiles: | CCOC(c1c(csc1N/C=C1\C(C)=NN(C1=O)c1ccccc1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6038 |
| logD: | 5.5374 |
| logSw: | -5.5432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.464 |
| InChI Key: | PQIMDMRQUKTHFG-UHFFFAOYSA-N |