N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0489 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(1-phenylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H26 F N5 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C[C@H]1F)C(C1(CC1)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5439 |
| logD: | 2.5439 |
| logSw: | -2.5897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.01 |
| InChI Key: | VBNGSVONEVBWGI-LEWJYISDSA-N |