1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-(dimethylamino)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-(dimethylamino)ethan-1-one
1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-(dimethylamino)ethan-1-one
Compound characteristics
| Compound ID: | SB21-1410 |
| Compound Name: | 1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-2-(dimethylamino)ethan-1-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H25 F N6 O2 |
| Smiles: | CN(C)CC(N1C[C@H](C[C@H]1Cn1cc(C(N2CCc3ccccc23)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4905 |
| logD: | -0.0437 |
| logSw: | -1.3991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.656 |
| InChI Key: | ZXJBZUJSVWVTJZ-JKSUJKDBSA-N |