4-benzyl-3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-benzyl-3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
4-benzyl-3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-3568 |
| Compound Name: | 4-benzyl-3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | COc1ccc(c(c1)S(N1CCC(Cc2nncn2Cc2ccccc2)C1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6334 |
| logD: | 2.6334 |
| logSw: | -3.0681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.484 |
| InChI Key: | LDIGVYDTQYDCSI-SFHVURJKSA-N |