N-[rel-(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-1429 |
| Compound Name: | N-[rel-(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | Cc1c(CC(N2C[C@H]([C@@H](C2)c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1576 |
| logD: | 1.1532 |
| logSw: | -2.1338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.962 |
| InChI Key: | BLSOSIGHMQDKLA-QZTJIDSGSA-N |