propan-2-yl 2-{[5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | K610-0078 |
| Compound Name: | propan-2-yl 2-{[5-(3,4-dimethoxyphenyl)-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: | 592.64 |
| Molecular Formula: | C28 H31 F3 N4 O5 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.764 |
| logD: | 3.5423 |
| logSw: | -5.5756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.266 |
| InChI Key: | YKTYXDGAEVRBLZ-UHFFFAOYSA-N |