1-{[(2S)-4,4-difluoro-1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | SB36-0116 |
Compound Name: | 1-{[(2S)-4,4-difluoro-1-(quinoline-6-carbonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 400.39 |
Molecular Formula: | C19 H18 F2 N6 O2 |
Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2ccc3c(cccn3)c2)=O)(F)F)nn1)=O |
Stereo: | ABSOLUTE |
logP: | 0.8857 |
logD: | 0.8857 |
logSw: | -2.0646 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 76.944 |
InChI Key: | XCDSUNNNKCPGOG-CQSZACIVSA-N |