N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1704 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(pyrimidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C20 H20 F N7 O2 |
| Smiles: | C1[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C[C@H]1F)C(c1ccncn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.537 |
| logD: | 0.537 |
| logSw: | -1.0946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.949 |
| InChI Key: | PDFVDIFGWZWPJK-JKSUJKDBSA-N |