3-{2-[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{2-[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
3-{2-[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | SD73-0142 |
| Compound Name: | 3-{2-[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C18 H26 N4 O4 S |
| Smiles: | CCn1cnnc1CCC1CCCN1S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5637 |
| logD: | 1.5634 |
| logSw: | -2.2989 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.97 |
| InChI Key: | XPKBLRAJLUYVOH-CQSZACIVSA-N |