N-benzyl-1-{[(2S)-4,4-difluoro-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-4,4-difluoro-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-4,4-difluoro-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1164 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 419.47 |
| Molecular Formula: | C21 H27 F2 N5 O2 |
| Smiles: | CC(C)CCC(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.8778 |
| logD: | 2.8778 |
| logSw: | -3.1835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.503 |
| InChI Key: | UWPWOFMKFQMSFS-QGZVFWFLSA-N |