N-[(3S,5S)-1-(3-fluoro-4-methoxybenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3-fluoro-4-methoxybenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-(3-fluoro-4-methoxybenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0549 |
| Compound Name: | N-[(3S,5S)-1-(3-fluoro-4-methoxybenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C22 H22 F N5 O3 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1ccc(c(c1)F)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4943 |
| logD: | 2.4881 |
| logSw: | -2.9844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.141 |
| InChI Key: | UNVLFKACECJAQV-AEFFLSMTSA-N |