propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0544 |
| Compound Name: | propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 508.36 |
| Molecular Formula: | C19 H21 Br F3 N3 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(Cn1c(C)c(c(C(F)(F)F)n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6671 |
| logD: | 2.3206 |
| logSw: | -4.4472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.011 |
| InChI Key: | WNDIRPPPCHGKJB-UHFFFAOYSA-N |