3-{(2S,4S)-1-(4-fluorobenzene-1-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S,4S)-1-(4-fluorobenzene-1-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
3-{(2S,4S)-1-(4-fluorobenzene-1-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0526 |
| Compound Name: | 3-{(2S,4S)-1-(4-fluorobenzene-1-sulfonyl)-4-[(3-methylphenyl)methoxy]pyrrolidin-2-yl}-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C21 H23 F N4 O3 S |
| Smiles: | Cc1cccc(CO[C@H]2C[C@@H](c3nc(C)[nH]n3)N(C2)S(c2ccc(cc2)F)(=O)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6637 |
| logD: | 3.6623 |
| logSw: | -3.8791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.859 |
| InChI Key: | LXVVCRPPJYGUQL-QUCCMNQESA-N |