N-benzyl-1-{[(2S)-4,4-difluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0828 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(oxane-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C21 H25 F2 N5 O3 |
| Smiles: | C1COCCC1C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6611 |
| logD: | 1.6611 |
| logSw: | -1.938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.86 |
| InChI Key: | MSKSQDOLUXXFES-QGZVFWFLSA-N |