8-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}quinoline--hydrogen chloride (1/1)
Chemical Structure Depiction of
8-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}quinoline--hydrogen chloride (1/1)
8-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}quinoline--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB34-1225 |
| Compound Name: | 8-{[rel-(3R,4R)-3-(fluoromethyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}quinoline--hydrogen chloride (1/1) |
| Molecular Weight: | 361.85 |
| Molecular Formula: | C18 H20 F N5 |
| Salt: | HCl |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccc4cccnc34)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.905 |
| logD: | 0.5406 |
| logSw: | -2.1181 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.135 |
| InChI Key: | DOKKLAWOVIKAAR-HOTGVXAUSA-N |