3-(5-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of
3-(5-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
3-(5-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Compound characteristics
| Compound ID: | P937-3408 |
| Compound Name: | 3-(5-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)pyrrolidin-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | C1CN(CC1Cc1nnc(c2cccnc2)[nH]1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0355 |
| logD: | 0.931 |
| logSw: | -1.973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.094 |
| InChI Key: | LNPXKYCICBDBRP-AWEZNQCLSA-N |