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-phenoxyethan-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-phenoxyethan-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-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SB21-0504 |
| 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-phenoxyethan-1-one |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C24 H24 F N5 O3 |
| Smiles: | C1CN(C(c2cn(C[C@@H]3C[C@@H](CN3C(COc3ccccc3)=O)F)nn2)=O)c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 2.3445 |
| logD: | 2.3445 |
| logSw: | -2.2413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.996 |
| InChI Key: | PDIXZCYBPOAOFJ-RBUKOAKNSA-N |