3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-methyl-4H-1,2,4-triazole
3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | P936-2497 |
| Compound Name: | 3-{[1-(2,5-dimethoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C16 H22 N4 O4 S |
| Smiles: | Cn1cnnc1CC1CCN(C1)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0957 |
| logD: | 1.0956 |
| logSw: | -2.3812 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.311 |
| InChI Key: | TZSYJUVOPSZITB-LBPRGKRZSA-N |