N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB33-1455 |
| Compound Name: | N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C22 H21 F2 N5 O3 |
| Smiles: | COCC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(c1ccc(c(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0156 |
| logD: | 2.0113 |
| logSw: | -2.6917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.451 |
| InChI Key: | FRFYCZDRJFNGHC-CRAIPNDOSA-N |