ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3237-1186 |
| Compound Name: | ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCOC(c1c2CCCc2sc1N/C=C1\C(C)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3774 |
| logD: | 1.5295 |
| logSw: | -4.3674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.022 |
| InChI Key: | BEWQELAAOPSETJ-UHFFFAOYSA-N |