2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0442 |
| Compound Name: | 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 465.29 |
| Molecular Formula: | C16 H16 Br F3 N4 O2 S |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(Nc1c(C(N)=O)c2CCCCc2s1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0117 |
| logD: | 1.5525 |
| logSw: | -2.4598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.637 |
| InChI Key: | OUPBWIXUDNINES-UHFFFAOYSA-N |