1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB36-1007 |
| Compound Name: | 1-[(2S)-4,4-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C22 H24 F2 N6 O2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2CC(CN2C(Cc2c[nH]c3ccccc23)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.077 |
| logD: | 2.077 |
| logSw: | -2.6183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.703 |
| InChI Key: | ALIWHTTYSUEBCD-MRXNPFEDSA-N |