5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0968 |
| Compound Name: | 5-{rel-(3R,4R)-4-(methoxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C20 H25 N5 O |
| Smiles: | Cn1cccc1CN1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9385 |
| logD: | 1.5604 |
| logSw: | -3.0838 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.039 |
| InChI Key: | MXTWMTSBFRKRSR-AEFFLSMTSA-N |