ethyl 2-{[(3-methyl-5-oxo-1-phenyl-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-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0999 |
| Compound Name: | ethyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N/C=C1/C(C)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2428 |
| logD: | 1.4154 |
| logSw: | -4.3295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.656 |
| InChI Key: | SZVZGMCVCFVERM-UHFFFAOYSA-N |