1-ethyl-4-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
Chemical Structure Depiction of
1-ethyl-4-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
1-ethyl-4-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine
Compound characteristics
| Compound ID: | SB32-0906 |
| Compound Name: | 1-ethyl-4-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]piperidine |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C21 H31 N5 O |
| Smiles: | CCN1CCC(CC1)N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8447 |
| logD: | 0.2658 |
| logSw: | -2.9599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.231 |
| InChI Key: | CXQMVSOOZJZYJQ-PKOBYXMFSA-N |