3-(5-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
3-(5-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
3-(5-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | P937-3396 |
| Compound Name: | 3-(5-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C20 H23 N5 O4 S |
| Smiles: | COc1ccc(c(c1)S(N1CCC(Cc2nnc(c3cccnc3)[nH]2)C1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8123 |
| logD: | 1.7078 |
| logSw: | -2.0299 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.445 |
| InChI Key: | DCGNEQYRSXGMBJ-AWEZNQCLSA-N |