N-benzyl-1-{[(2S,4S)-4-fluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0401 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C21 H26 F N5 O3 |
| Smiles: | C1COCCC1C(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3099 |
| logD: | 1.3099 |
| logSw: | -1.6071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.86 |
| InChI Key: | QQFGDZBMGMMEQJ-ZWKOTPCHSA-N |