3-[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
3-[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
3-[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB29-0192 |
| Compound Name: | 3-[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-methoxypyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1C[C@H](C[C@H]1c1nc(C)[nH]n1)OC)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3521 |
| logD: | 2.3507 |
| logSw: | -2.787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.175 |
| InChI Key: | CHGADTZSCVTHII-HIFRSBDPSA-N |