1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methylpropan-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-methylpropan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB34-0183 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(fluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 280.34 |
| Molecular Formula: | C14 H21 F N4 O |
| Smiles: | CC(C)C(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6453 |
| logD: | 1.6251 |
| logSw: | -2.2832 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.428 |
| InChI Key: | IEAQGDHZXIXCOS-QWRGUYRKSA-N |