1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1035 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C20 H22 F N5 O |
| Smiles: | C1CC1c1nc([C@@H]2CN(C[C@H]2CF)C(Cc2c[nH]c3ccccc23)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.497 |
| logD: | 2.4768 |
| logSw: | -2.8208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.5 |
| InChI Key: | YIEKHIPYUNDFNQ-HOCLYGCPSA-N |