rel-(3R,4S)-3-benzamido-N-(3-fluoro-4-methoxyphenyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-3-benzamido-N-(3-fluoro-4-methoxyphenyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
rel-(3R,4S)-3-benzamido-N-(3-fluoro-4-methoxyphenyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB33-1272 |
| Compound Name: | rel-(3R,4S)-3-benzamido-N-(3-fluoro-4-methoxyphenyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C22 H23 F N6 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(Nc2ccc(c(c2)F)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0162 |
| logD: | 2.0158 |
| logSw: | -2.9353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.305 |
| InChI Key: | UVEHQNKWNDNQHV-SJLPKXTDSA-N |