2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5-dimethylthiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5-dimethylthiophene-3-carboxamide
2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5-dimethylthiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0561 |
| Compound Name: | 2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5-dimethylthiophene-3-carboxamide |
| Molecular Weight: | 416.25 |
| Molecular Formula: | C13 H14 Br N5 O4 S |
| Smiles: | Cc1c(C(N)=O)c(NC(Cn2c(C)c(c(n2)[N+]([O-])=O)[Br])=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 0.6964 |
| logD: | 0.2099 |
| logSw: | -1.7753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.26 |
| InChI Key: | CBKNQYBFDULCOC-UHFFFAOYSA-N |