rel-(3R,4R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0222 |
| Compound Name: | rel-(3R,4R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C18 H21 N7 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(CCc2nc3ccccc3[nH]2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0221 |
| logD: | -0.0901 |
| logSw: | -1.9901 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.33 |
| InChI Key: | HLVAICLZBJVPRV-RYUDHWBXSA-N |