methyl 6-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 6-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-3-chloro-1-benzothiophene-2-carboxylate
methyl 6-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-5315 |
| Compound Name: | methyl 6-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 536.75 |
| Molecular Formula: | C19 H14 Br Cl F3 N3 O3 S |
| Smiles: | COC(c1c(c2ccc(cc2s1)NC(Cn1c(C2CC2)c(c(C(F)(F)F)n1)[Br])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8809 |
| logD: | 5.8804 |
| logSw: | -6.2393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.065 |
| InChI Key: | XVSJNHVTTFENMM-UHFFFAOYSA-N |