propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-methyl-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}-6-methyl-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}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-1075 |
| Compound Name: | propan-2-yl 2-{2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 522.38 |
| Molecular Formula: | C20 H23 Br F3 N3 O3 S |
| Smiles: | CC1CCc2c(C(=O)OC(C)C)c(NC(Cn3c(C)c(c(C(F)(F)F)n3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1011 |
| logD: | 2.7546 |
| logSw: | -4.8765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.011 |
| InChI Key: | MQCQIQFXAMQFGP-SNVBAGLBSA-N |