N-[(3S,5S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
N-[(3S,5S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | SB18-1263 |
| Compound Name: | N-[(3S,5S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-5-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 423.52 |
| Molecular Formula: | C22 H29 N7 O2 |
| Smiles: | CC(C)CC(N[C@H]1C[C@@H](c2nc(C)n[nH]2)N(C1)C(CCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2221 |
| logD: | 2.1539 |
| logSw: | -2.5209 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.037 |
| InChI Key: | PYZPUCUXPMUKGI-QAPCUYQASA-N |