rel-(3R,4S)-4-acetamido-N-methyl-1-(2,3,6-trifluorobenzoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-4-acetamido-N-methyl-1-(2,3,6-trifluorobenzoyl)pyrrolidine-3-carboxamide
rel-(3R,4S)-4-acetamido-N-methyl-1-(2,3,6-trifluorobenzoyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S963-3478 |
| Compound Name: | rel-(3R,4S)-4-acetamido-N-methyl-1-(2,3,6-trifluorobenzoyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 343.3 |
| Molecular Formula: | C15 H16 F3 N3 O3 |
| Smiles: | CC(N[C@H]1CN(C[C@@H]1C(NC)=O)C(c1c(ccc(c1F)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.062 |
| logD: | -0.062 |
| logSw: | -1.8771 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.462 |
| InChI Key: | VRURDQBEADMTGX-LDYMZIIASA-N |