4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2825 |
| Compound Name: | 4-bromo-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1,5-dimethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 438.34 |
| Molecular Formula: | C17 H20 Br N5 O2 S |
| Smiles: | CCN(CC)C(c1c(C)c(C#N)c(NC(c2c(c(C)n(C)n2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1382 |
| logD: | 0.1734 |
| logSw: | -2.5588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.145 |
| InChI Key: | WLPYBTIYUOQYJO-UHFFFAOYSA-N |