3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-3-yl}butanamide
Chemical Structure Depiction of
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-3-yl}butanamide
3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-3-yl}butanamide
Compound characteristics
| Compound ID: | SB18-1158 |
| Compound Name: | 3-methyl-N-{(3S,5S)-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-3-yl}butanamide |
| Molecular Weight: | 439.44 |
| Molecular Formula: | C20 H24 F3 N5 O3 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(c1ccccc1OC(F)(F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2027 |
| logD: | 3.202 |
| logSw: | -3.7341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.306 |
| InChI Key: | IPFMKOAFAYFELR-HIFRSBDPSA-N |