3-{(2S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{(2S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
3-{(2S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | CL9902-3047 |
| Compound Name: | 3-{(2S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl}-5-(oxan-4-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 406.91 |
| Molecular Formula: | C20 H27 Cl N4 O3 |
| Smiles: | COc1ccc(CN2CCC[C@H]2c2nnc(C3CCOCC3)[nH]2)c(c1OC)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 2.4845 |
| logD: | 1.0094 |
| logSw: | -3.7013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.158 |
| InChI Key: | WIXNORHGCRAXTC-HNNXBMFYSA-N |