1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB34-1081 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethan-1-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H25 F N4 O2 |
| Smiles: | CCOc1ccc(CC(N2C[C@@H](CF)[C@@H](C2)c2nc(C3CC3)n[nH]2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.708 |
| logD: | 2.6878 |
| logSw: | -2.9201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.752 |
| InChI Key: | QGQBTNYWPDRVKS-RDJZCZTQSA-N |