N-[(3S,5S)-1-(3,5-dimethylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(3,5-dimethylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
N-[(3S,5S)-1-(3,5-dimethylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide
Compound characteristics
| Compound ID: | SB18-1077 |
| Compound Name: | N-[(3S,5S)-1-(3,5-dimethylbenzoyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]methanesulfonamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)C(N1C[C@H](C[C@H]1c1nc(c2ccccc2)n[nH]1)NS(C)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2009 |
| logD: | 3.1947 |
| logSw: | -3.4773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.116 |
| InChI Key: | UFPQBBQJOZJJLS-RBUKOAKNSA-N |