ethyl 3-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 3-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-1H-pyrazole-4-carboxylate
ethyl 3-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8012-4584 |
| Compound Name: | ethyl 3-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C19 H18 N6 O3 S |
| Smiles: | CCOC(c1c[nH]nc1NC(\C)=C1\C(C)=NN(C1=O)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.587 |
| logD: | 0.289 |
| logSw: | -3.6233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.428 |
| InChI Key: | RTVUULPELMRUGM-UHFFFAOYSA-N |