3-{2-[1-(4-ethylbenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{2-[1-(4-ethylbenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-methyl-4H-1,2,4-triazole
3-{2-[1-(4-ethylbenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | SD73-0088 |
| Compound Name: | 3-{2-[1-(4-ethylbenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C17 H24 N4 O2 S |
| Smiles: | CCc1ccc(cc1)S(N1CCCC1CCc1nncn1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3282 |
| logD: | 2.3281 |
| logSw: | -2.5243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.627 |
| InChI Key: | ZTXGKTJLFGGBDY-OAHLLOKOSA-N |