N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y508-1062 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1)C(Nc1nc2ccccc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5193 |
| logD: | 3.5172 |
| logSw: | -3.764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.865 |
| InChI Key: | LWWSBUNFKPAAOE-UHFFFAOYSA-N |