dimethyl 2-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate
dimethyl 2-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 4779-0073 |
| Compound Name: | dimethyl 2-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | C/C(=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)Nc1cc(ccc1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.517 |
| logD: | 2.6769 |
| logSw: | -4.3295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.993 |
| InChI Key: | NQOWHUDMIKHMAR-UHFFFAOYSA-N |