ethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
ethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-2791 |
| Compound Name: | ethyl 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-1-phenyl-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C21 H18 N4 O3 S2 |
| Smiles: | CCOC(c1cnn(c2ccccc2)c1NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9664 |
| logD: | 4.9189 |
| logSw: | -4.4451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.688 |
| InChI Key: | IIUNQAKQHLHTEP-UHFFFAOYSA-N |