methyl 6-tert-butyl-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 6-tert-butyl-2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-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: | K061-0680 |
| Compound Name: | methyl 6-tert-butyl-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: | 586.63 |
| Molecular Formula: | C29 H29 F3 N4 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3cnn4c(cc(c5ccc(cc5)OC)nc34)C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1503 |
| logD: | 3.845 |
| logSw: | -5.6614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.692 |
| InChI Key: | PDVUIQGFGLJWRW-MRXNPFEDSA-N |