1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-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-carbonyl)-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-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1544 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C17 H23 F N6 O3 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2c(C)noc2C)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.3096 |
| logD: | 0.3096 |
| logSw: | -1.2551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.043 |
| InChI Key: | NVAPEOXLSBMZOG-QWHCGFSZSA-N |