5-[rel-(3R,4R)-1-(4-fluorobenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(4-fluorobenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(4-fluorobenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0948 |
| Compound Name: | 5-[rel-(3R,4R)-1-(4-fluorobenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 416.47 |
| Molecular Formula: | C20 H21 F N4 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.26 |
| logD: | 3.2557 |
| logSw: | -3.5355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | WDALPMSSRYNTSB-MAUKXSAKSA-N |