2-ethoxy-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-ethoxy-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
2-ethoxy-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB32-0974 |
| Compound Name: | 2-ethoxy-1-[rel-(3R,4R)-3-(methoxymethyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C18 H24 N4 O3 |
| Smiles: | CCOCC(N1C[C@@H](COC)[C@@H](C1)c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.59 |
| logD: | 1.5857 |
| logSw: | -2.1746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.86 |
| InChI Key: | ANDNORSWSZRKKP-LSDHHAIUSA-N |