1-{[(2S)-4,4-difluoro-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1431 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C15 H18 F2 N6 O3 S |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(c2cscn2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2484 |
| logD: | 0.2484 |
| logSw: | -1.9826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.842 |
| InChI Key: | KJGFDAVZORCGGA-JTQLQIEISA-N |