N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4521 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 382.19 |
| Molecular Formula: | C12 H8 Br N5 O3 S |
| Smiles: | Cn1cc(c(C(Nc2nc3ccc(cc3s2)[Br])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9726 |
| logD: | 2.9059 |
| logSw: | -3.5376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.527 |
| InChI Key: | SUPMNBIJOCMEFS-UHFFFAOYSA-N |