N-[rel-(3R,4S)-1-(3-fluoro-4-methylbenzoyl)-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-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-0516 |
| Compound Name: | N-[rel-(3R,4S)-1-(3-fluoro-4-methylbenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C23 H24 F N5 O3 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@H]([C@@H](C1)c1nc(c2ccccc2)n[nH]1)NC(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3088 |
| logD: | 2.3044 |
| logSw: | -2.8904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.451 |
| InChI Key: | WMJGHBHPRSIFTD-IEBWSBKVSA-N |