N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4362 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(2,4-dimethylphenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)OCn1ccc(C(Nc2nc3ccc(cc3s2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8418 |
| logD: | 5.8396 |
| logSw: | -5.9374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.541 |
| InChI Key: | NVEKDLVEKPJVMU-UHFFFAOYSA-N |