1-{[(2S,4S)-4-fluoro-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1465 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H28 F N5 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(CCCc2ccccc2)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4633 |
| logD: | 2.4633 |
| logSw: | -2.5004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.477 |
| InChI Key: | RESCFSSXMMZLHV-ZWKOTPCHSA-N |