3-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
3-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide
Compound characteristics
| Compound ID: | SB33-0929 |
| Compound Name: | 3-methyl-N-[rel-(3R,4S)-1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]butanamide |
| Molecular Weight: | 327.43 |
| Molecular Formula: | C18 H25 N5 O |
| Smiles: | CC(C)CC(N[C@@H]1CN(C)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4595 |
| logD: | 0.3774 |
| logSw: | -2.7584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.048 |
| InChI Key: | DKIXNVJOXAFUDC-GJZGRUSLSA-N |