3-methyl-5-[(2S)-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-[(2S)-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
3-methyl-5-[(2S)-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P930-0395 |
| Compound Name: | 3-methyl-5-[(2S)-1-(phenylmethanesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazole |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C14 H18 N4 O2 S |
| Smiles: | Cc1nnc([C@@H]2CCCN2S(Cc2ccccc2)(=O)=O)[nH]1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6335 |
| logD: | 0.628 |
| logSw: | -2.1068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.078 |
| InChI Key: | LNERCILSLFQSDR-ZDUSSCGKSA-N |