4-bromo-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2704 |
| Compound Name: | 4-bromo-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.26 |
| Molecular Formula: | C14 H14 Br N5 O2 S |
| Smiles: | Cc1c(C#N)c(NC(c2c(cn(C)n2)[Br])=O)sc1C(N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8671 |
| logD: | -1.2778 |
| logSw: | -2.1642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.536 |
| InChI Key: | IAWLRYWOBWWFLN-UHFFFAOYSA-N |