1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1090 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C15 H21 F N6 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1C[C@H](C[C@H]1Cn1cc(C(N(C)C)=O)nn1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.974 |
| logD: | -0.974 |
| logSw: | -1.1531 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.224 |
| InChI Key: | JZCIFKWNKNFZJY-NEPJUHHUSA-N |