N-benzyl-1-{[(2S)-4,4-difluoro-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)-4,4-difluoro-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)-4,4-difluoro-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: | SB36-1179 |
| Compound Name: | N-benzyl-1-{[(2S)-4,4-difluoro-1-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C20 H21 F2 N7 O3 |
| Smiles: | C1CC(NN=C1C(N1CC(C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)(F)F)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4661 |
| logD: | 0.1869 |
| logSw: | -1.7153 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.168 |
| InChI Key: | LLQCDIUZLUWULT-CQSZACIVSA-N |