methyl 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoro-N-[(oxolan-2-yl)methyl]alaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoro-N-[(oxolan-2-yl)methyl]alaninate
methyl 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoro-N-[(oxolan-2-yl)methyl]alaninate
Compound characteristics
| Compound ID: | 8019-1306 |
| Compound Name: | methyl 2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoro-N-[(oxolan-2-yl)methyl]alaninate |
| Molecular Weight: | 448.44 |
| Molecular Formula: | C20 H27 F3 N2 O6 |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)N(CC1CCCO1)Cc1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8013 |
| logD: | 1.7579 |
| logSw: | -2.4227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.07 |
| InChI Key: | LGBCFKQRFMNWSL-UHFFFAOYSA-N |