5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-1259 |
| Compound Name: | 5-{rel-(3R,4R)-4-(fluoromethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl}-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C18 H25 F N4 O3 |
| Smiles: | Cc1nc([C@@H]2CN(Cc3cc(c(c(c3)OC)OC)OC)C[C@H]2CF)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2571 |
| logD: | -3.6189 |
| logSw: | -2.1666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.579 |
| InChI Key: | AYRANMCVFLFTES-KBPBESRZSA-N |