2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8017-0484 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 441.22 |
| Molecular Formula: | C13 H9 Br N6 O5 S |
| Smiles: | Cc1c(c(nn1CC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8699 |
| logD: | 2.8697 |
| logSw: | -3.2753 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.55 |
| InChI Key: | VZXRWQTZDLSZOT-UHFFFAOYSA-N |