1-({(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1418 |
| Compound Name: | 1-({(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C21 H27 N7 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CCCN2C(CCc2nc3ccccc3[nH]2)=O)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8306 |
| logD: | 0.763 |
| logSw: | -1.8107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.035 |
| InChI Key: | MHXQZJLQGSHCOS-HNNXBMFYSA-N |