N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y500-4445 |
| Compound Name: | N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 445.4 |
| Molecular Formula: | C19 H13 F2 N5 O4 S |
| Smiles: | C(c1ccc(cc1)C(Nc1nc2ccc(cc2s1)OC(F)F)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5811 |
| logD: | 3.5801 |
| logSw: | -3.7519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.583 |
| InChI Key: | HGHOUSCIYXOXGX-UHFFFAOYSA-N |