1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0760 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 440.42 |
| Molecular Formula: | C19 H23 F3 N6 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(NCc2ccc(cc2)F)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0556 |
| logD: | 1.0556 |
| logSw: | -1.9722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.357 |
| InChI Key: | UJUXQYQPSATWJN-HNNXBMFYSA-N |