1-{[(2S,4S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1087 |
| Compound Name: | 1-{[(2S,4S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 444.46 |
| Molecular Formula: | C21 H25 F N6 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3C[C@H](C[C@H]3Cn3cc(C(N(C)C)=O)nn3)F)=O)o2)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 0.6972 |
| logD: | 0.6972 |
| logSw: | -1.268 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.954 |
| InChI Key: | FNSSQCZSUAFDIU-LSDHHAIUSA-N |