ethyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K061-0904 |
| Compound Name: | ethyl 2-{[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 627.87 |
| Molecular Formula: | C25 H19 Br Cl F3 N4 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[Br])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5368 |
| logD: | 3.9515 |
| logSw: | -6.8514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.274 |
| InChI Key: | JOJDVHWRSIZYCX-UHFFFAOYSA-N |