5-[rel-(3R,4R)-1-[(3-chlorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-[(3-chlorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-[(3-chlorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1248 |
| Compound Name: | 5-[rel-(3R,4R)-1-[(3-chlorophenyl)methyl]-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 308.78 |
| Molecular Formula: | C15 H18 Cl F N4 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cccc(c3)[Cl])C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2512 |
| logD: | 0.3718 |
| logSw: | -3.2346 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.602 |
| InChI Key: | PNOZYIYAANPBSX-TZMCWYRMSA-N |