methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y504-4878 |
| Compound Name: | methyl 2-{[1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 505.54 |
| Molecular Formula: | C23 H18 F3 N3 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cc2c(C(F)(F)F)nn(c3ccccc3)c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7954 |
| logD: | 3.61 |
| logSw: | -5.6075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.187 |
| InChI Key: | NRJWJKURDJXWLP-UHFFFAOYSA-N |