N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1212 |
| Compound Name: | N-[rel-(3R,4S)-1-(3,4-difluorobenzoyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H19 F2 N5 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(c2ccc(c(c2)F)F)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8126 |
| logD: | 1.8121 |
| logSw: | -2.5313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.854 |
| InChI Key: | UHAZEWHDKWZKOB-CRAIPNDOSA-N |