N-benzyl-1-{[(2S)-4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0826 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(2-methylfuran-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C21 H21 F2 N5 O3 |
| Smiles: | Cc1c(cco1)C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0626 |
| logD: | 2.0625 |
| logSw: | -2.8788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.992 |
| InChI Key: | MLKJDIPZZIRDLD-MRXNPFEDSA-N |