1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1530 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C16 H23 F N6 O4 S |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2S(c2c(C)noc2C)(=O)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0951 |
| logD: | 0.0951 |
| logSw: | -1.9367 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.882 |
| InChI Key: | VRZMQIJGPZNKAH-OLZOCXBDSA-N |