1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-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-methyl-1H-imidazole-4-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-4-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0733 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(1-methyl-1H-imidazole-4-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: | Cn1cc(C(N2CC(C[C@H]2Cn2cc(C(NCCOC)=O)nn2)(F)F)=O)nc1 |
| Stereo: | ABSOLUTE |
| logP: | -0.653 |
| logD: | -0.653 |
| logSw: | -1.2823 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.851 |
| InChI Key: | GHWIUYMSUXXROX-LLVKDONJSA-N |