1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0180 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(3-phenylpropanoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 377.39 |
| Molecular Formula: | C18 H21 F2 N5 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(CCc2ccccc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4314 |
| logD: | 1.4314 |
| logSw: | -1.9176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.654 |
| InChI Key: | IQVGPRJDWKJFDY-CQSZACIVSA-N |