N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K061-0993 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 536.36 |
| Molecular Formula: | C23 H14 Cl2 F3 N5 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc3nc(cc(C(F)(F)F)n3n1)c1ccc(c(c1)[Cl])[Cl])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.8259 |
| logD: | 5.1999 |
| logSw: | -6.8963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.26 |
| InChI Key: | DYSOLZAYGRGFJE-UHFFFAOYSA-N |