2-cyclopropyl-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclopropyl-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
2-cyclopropyl-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB34-0176 |
| Compound Name: | 2-cyclopropyl-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 292.35 |
| Molecular Formula: | C15 H21 F N4 O |
| Smiles: | C1CC1CC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.569 |
| logD: | 1.5487 |
| logSw: | -2.1486 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.152 |
| InChI Key: | JIAGZGSYYHSFBP-RYUDHWBXSA-N |