N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0445 |
| Compound Name: | N-[rel-(3R,4S)-1-(3-methylbutanoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C19 H25 N5 O2 |
| Smiles: | CC(C)CC(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8859 |
| logD: | 1.8816 |
| logSw: | -2.5791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.884 |
| InChI Key: | CYAVTMVNTBCLCM-HZPDHXFCSA-N |