N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-1285 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 458.29 |
| Molecular Formula: | C18 H12 Br N5 O3 S |
| Smiles: | C(c1cccc(c1)C(Nc1nc2ccccc2s1)=O)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1406 |
| logD: | 4.1349 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.687 |
| InChI Key: | VRPVKXYZJVNSPF-UHFFFAOYSA-N |