1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-5-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-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1435 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C16 H21 F2 N7 O3 |
| Smiles: | Cn1cncc1C(N1CC(C[C@H]1Cn1cc(C(NCCOC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.6828 |
| logD: | -0.7006 |
| logSw: | -0.6704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.461 |
| InChI Key: | ZRFSOKOWDSYFRQ-LLVKDONJSA-N |