1-({(2S,4S)-1-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1089 |
| Compound Name: | 1-({(2S,4S)-1-[3-(5-chloro-1H-benzimidazol-2-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C20 H23 Cl F N7 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(CCc2nc3cc(ccc3[nH]2)[Cl])=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0076 |
| logD: | 0.94 |
| logSw: | -2.6798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.1 |
| InChI Key: | JGNJSBNMMKPFRN-KGLIPLIRSA-N |