4-(5-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
4-(5-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
4-(5-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | P937-3930 |
| Compound Name: | 4-(5-{[1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | COc1cccc(c1)S(N1CCC(Cc2nnc(c3ccncc3)[nH]2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0994 |
| logD: | 2.0762 |
| logSw: | -2.4561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.725 |
| InChI Key: | FYDBKCKJQQADOQ-AWEZNQCLSA-N |