3-{2-[1-(3,4-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{2-[1-(3,4-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole
3-{2-[1-(3,4-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | SD73-0449 |
| Compound Name: | 3-{2-[1-(3,4-dimethoxybenzene-1-sulfonyl)pyrrolidin-2-yl]ethyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)S(N1CCCC1CCc1nncn1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5164 |
| logD: | 2.5164 |
| logSw: | -2.628 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.519 |
| InChI Key: | IPJHWCNUNDQOOE-GOSISDBHSA-N |