(2,4-dimethoxyphenyl)(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(2,4-dimethoxyphenyl)(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)methanone
(2,4-dimethoxyphenyl)(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | P937-3178 |
| Compound Name: | (2,4-dimethoxyphenyl)(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)methanone |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | COc1ccc(C(N2CCC(Cc3nnc(c4cccnc4)[nH]3)C2)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8323 |
| logD: | 1.7277 |
| logSw: | -2.0067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.382 |
| InChI Key: | BUOMURXUFCPRBB-AWEZNQCLSA-N |