methyl 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0712 |
| Compound Name: | methyl 2-{[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 500.5 |
| Molecular Formula: | C24 H19 F3 N4 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5056 |
| logD: | 2.2003 |
| logSw: | -5.3813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.148 |
| InChI Key: | RERMPARIVQWBPN-UHFFFAOYSA-N |