N-[(3S,5S)-1-(2,4-difluorobenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2,4-difluorobenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(2,4-difluorobenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1078 |
| Compound Name: | N-[(3S,5S)-1-(2,4-difluorobenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C20 H19 F2 N5 O3 S |
| Smiles: | CS(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1ccc(cc1F)F)=O)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7869 |
| logD: | 2.7807 |
| logSw: | -3.5857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.116 |
| InChI Key: | RSQPFOSGBZJIJG-WMLDXEAASA-N |