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Isopropyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
isopropyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate · Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl]amino]-, 1-methylethyl ester
![Molekülstruktur von Isopropyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/img/chemical/178696366.png)
Identifikatoren & physikalische Daten
| CAS No. | 313248-82-7 |
|---|---|
| Summenformel | C26H23F3N4O3S |
| Durchschnittliche Molmasse | 528,5 g/mol |
| Monoisotopische Masse | 528,14429627 g/mol |
| SMILES | CC(C)OC(=O)c1c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)sc2c1CCCC2 |
| InChIKey | KHLKRUSXCVBMEC-UHFFFAOYSA-N |
| PubChem CID | 1742995 |
Chemische & physikalische Eigenschaften
| XLogP | 6,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 37 |
| Formalladung | 0 |
| Komplexität | 840 |