ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)-1H-pyrazole-3-carboxylate
ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8012-9806 |
| Compound Name: | ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 456.32 |
| Molecular Formula: | C20 H14 Br N3 O3 S |
| Smiles: | CCOC(c1c(cn(c2ccc(cc2)[Br])n1)C(c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.186 |
| logD: | 5.186 |
| logSw: | -4.9642 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.084 |
| InChI Key: | SRPGXSXGSRTKJZ-UHFFFAOYSA-N |