ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1000 |
| Compound Name: | ethyl 2-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N/C=C1/C(C)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7877 |
| logD: | 1.9604 |
| logSw: | -4.6321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.656 |
| InChI Key: | VFGCIZXKYSPXCD-UHFFFAOYSA-N |