propan-2-yl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K610-0145 |
| Compound Name: | propan-2-yl 2-{[5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 567.03 |
| Molecular Formula: | C26 H26 Cl F3 N4 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.7836 |
| logD: | 4.5619 |
| logSw: | -6.6679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.005 |
| InChI Key: | NPDYZZWBQDRBFG-UHFFFAOYSA-N |