methyl 2-{[5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0682 |
| Compound Name: | methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C25 H21 F3 N4 O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccc(cc3)OC)nc12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5931 |
| logD: | 2.2878 |
| logSw: | -5.3524 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.692 |
| InChI Key: | MUZVYZOOWGUVFH-UHFFFAOYSA-N |