N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-0663 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 553.61 |
| Molecular Formula: | C28 H26 F3 N5 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cnn4c(cc(c5ccc(cc5)OC)nc34)C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0703 |
| logD: | 4.793 |
| logSw: | -5.6345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.574 |
| InChI Key: | VWTMMPBECUXHQJ-MRXNPFEDSA-N |