methyl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8772 |
| Compound Name: | methyl 2-{[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 387.38 |
| Molecular Formula: | C16 H16 F3 N3 O3 S |
| Smiles: | Cn1c(cc(C(F)(F)F)n1)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1723 |
| logD: | -0.3498 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.734 |
| InChI Key: | MOLVPQLTPHFPOC-UHFFFAOYSA-N |