1-({(2S,4S)-4-fluoro-1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0044 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[(2-phenylethyl)carbamoyl]pyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H25 F N6 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(NCCc2ccccc2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6397 |
| logD: | 0.6397 |
| logSw: | -1.6072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.331 |
| InChI Key: | JYTDHOTUMRSCCK-JKSUJKDBSA-N |