N-benzyl-1-{[(2S,4S)-4-fluoro-1-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-4-fluoro-1-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1695 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-4-fluoro-1-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C20 H22 F N7 O3 |
| Smiles: | C1CC(NN=C1C(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1149 |
| logD: | -0.1644 |
| logSw: | -1.5262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.168 |
| InChI Key: | LRYHSRSROBRKNR-LSDHHAIUSA-N |