N-benzyl-1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
N-benzyl-1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB21-0473 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 339.8 |
| Molecular Formula: | C15 H18 F N5 O |
| Salt: | HCl |
| Smiles: | [H]N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F |
| Stereo: | ABSOLUTE |
| logP: | 0.6568 |
| logD: | 0.4175 |
| logSw: | -1.4971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.872 |
| InChI Key: | QSYNFZXWEXITRA-STQMWFEESA-N |