dimethyl 5-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate
dimethyl 5-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4779-0078 |
| Compound Name: | dimethyl 5-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CCCC1\C(=C(/C)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8364 |
| logD: | 5.7874 |
| logSw: | -5.5071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.422 |
| InChI Key: | GYERXLZTPNRLGL-UHFFFAOYSA-N |