ethyl 2-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 3209-0857 |
Compound Name: | ethyl 2-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 504.53 |
Molecular Formula: | C24 H23 F3 N4 O3 S |
Smiles: | CCOC(c1c2CCCc2sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 5.2727 |
logD: | 3.0304 |
logSw: | -5.199 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.692 |
InChI Key: | CWXHEGQJFMGEAA-UHFFFAOYSA-N |