(2S)-4,4-difluoro-N-(2-phenylethyl)-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S)-4,4-difluoro-N-(2-phenylethyl)-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
(2S)-4,4-difluoro-N-(2-phenylethyl)-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | SB36-0549 |
| Compound Name: | (2S)-4,4-difluoro-N-(2-phenylethyl)-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-1-carboxamide |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C21 H26 F2 N6 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(NCCc2ccccc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1792 |
| logD: | 2.1792 |
| logSw: | -2.5762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.344 |
| InChI Key: | JITAFPBWZGKIPM-QGZVFWFLSA-N |