N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-8459 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 396.22 |
| Molecular Formula: | C13 H10 Br N5 O3 S |
| Smiles: | Cc1c(c(nn1CC(Nc1nc2ccccc2s1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9771 |
| logD: | 2.977 |
| logSw: | -3.2257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.169 |
| InChI Key: | HJLMJGMLLUUILK-UHFFFAOYSA-N |