[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl](pyrimidin-4-yl)methanone
Chemical Structure Depiction of
[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl](pyrimidin-4-yl)methanone
[(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl](pyrimidin-4-yl)methanone
Compound characteristics
| Compound ID: | SB21-0513 |
| Compound Name: | [(2S,4S)-2-{[4-(2,3-dihydro-1H-indole-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}-4-fluoropyrrolidin-1-yl](pyrimidin-4-yl)methanone |
| Molecular Weight: | 421.43 |
| Molecular Formula: | C21 H20 F N7 O2 |
| Smiles: | C1CN(C(c2cn(C[C@@H]3C[C@@H](CN3C(c3ccncn3)=O)F)nn2)=O)c2ccccc12 |
| Stereo: | ABSOLUTE |
| logP: | 0.8581 |
| logD: | 0.8581 |
| logSw: | -0.9272 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.215 |
| InChI Key: | NPPLPKNHJVTMEX-JKSUJKDBSA-N |