N-benzyl-1-{[(2S,4S)-1-(cyclohexanecarbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(cyclohexanecarbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(cyclohexanecarbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1667 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(cyclohexanecarbonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H28 F N5 O2 |
| Smiles: | C1CCC(CC1)C(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6557 |
| logD: | 2.6557 |
| logSw: | -2.6976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.951 |
| InChI Key: | NHTYNSKGNQKWAO-RBUKOAKNSA-N |