N-[rel-(3R,4S)-1-(2,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(2,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1297 |
| Compound Name: | N-[rel-(3R,4S)-1-(2,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H19 F2 N5 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1ccc(cc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3355 |
| logD: | 2.3312 |
| logSw: | -3.1793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.14 |
| InChI Key: | NPNGISDSTQMKMK-SJLPKXTDSA-N |