1-[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl]-3-(1H-imidazol-1-yl)propan-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]-3-(1H-imidazol-1-yl)propan-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]-3-(1H-imidazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SB21-0524 |
| 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]-3-(1H-imidazol-1-yl)propan-1-one |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C22 H24 F N7 O2 |
| Smiles: | C(Cn1ccnc1)C(N1C[C@H](C[C@H]1Cn1cc(C(N2CCc3ccccc23)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7776 |
| logD: | 0.6907 |
| logSw: | -0.9377 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.298 |
| InChI Key: | VPPCGFPDMSFNMX-ZWKOTPCHSA-N |