5-[rel-(3R,4R)-4-(methoxymethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(methoxymethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(methoxymethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0145 |
| Compound Name: | 5-[rel-(3R,4R)-4-(methoxymethyl)-1-({4-[(propan-2-yl)oxy]phenyl}methyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 344.46 |
| Molecular Formula: | C19 H28 N4 O2 |
| Smiles: | CC(C)Oc1ccc(CN2C[C@@H](COC)[C@@H](C2)c2nc(C)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3419 |
| logD: | 0.0812 |
| logSw: | -2.8072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.828 |
| InChI Key: | INPSYCIJRNMMKH-FUHWJXTLSA-N |