N-[rel-(3R,4S)-1-(2-ethylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(2-ethylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(2-ethylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0427 |
| Compound Name: | N-[rel-(3R,4S)-1-(2-ethylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CCC(CC)C(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4118 |
| logD: | 2.4074 |
| logSw: | -2.8861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.412 |
| InChI Key: | IDAOPOSXKBZQNI-IAGOWNOFSA-N |