1-({(2S)-4,4-difluoro-1-[(pyridin-3-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[(pyridin-3-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[(pyridin-3-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0755 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[(pyridin-3-yl)acetyl]pyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C18 H22 F2 N6 O3 |
| Smiles: | COCCNC(c1cn(C[C@@H]2CC(CN2C(Cc2cccnc2)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1045 |
| logD: | -0.113 |
| logSw: | -0.9007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.205 |
| InChI Key: | OTANOJJJCIXHQJ-CQSZACIVSA-N |