propan-2-yl 2-{[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | A0013431 |
| Compound Name: | propan-2-yl 2-{[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 518.51 |
| Molecular Formula: | C24 H21 F3 N4 O4 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccco3)nc12)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4095 |
| logD: | 2.1042 |
| logSw: | -5.2614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.985 |
| InChI Key: | ZQQQJUQLOZGBND-UHFFFAOYSA-N |