3-(5-{[1-(2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
3-(5-{[1-(2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
3-(5-{[1-(2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | P937-3399 |
| Compound Name: | 3-(5-{[1-(2-methylbenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | Cc1ccccc1S(N1CCC(Cc2nnc(c3cccnc3)[nH]2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1181 |
| logD: | 2.0136 |
| logSw: | -2.0624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.271 |
| InChI Key: | XZZNMESVUDFYLG-HNNXBMFYSA-N |