N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0838 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(1-methylcyclopropane-1-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C20 H23 F2 N5 O2 |
| Smiles: | CC1(CC1)C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6011 |
| logD: | 1.601 |
| logSw: | -1.9108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.282 |
| InChI Key: | IRLNKTBFJSZKHU-OAHLLOKOSA-N |