2-(azepan-1-yl)-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-(azepan-1-yl)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one
2-(azepan-1-yl)-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: | SB34-1123 |
| Compound Name: | 2-(azepan-1-yl)-1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C18 H28 F N5 O |
| Smiles: | C1CCCN(CC1)CC(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6457 |
| logD: | -0.0808 |
| logSw: | -2.3865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.964 |
| InChI Key: | LZUUCBSAIKJYFR-GJZGRUSLSA-N |