1-({(2S)-4,4-difluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-4,4-difluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-4,4-difluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1264 |
| Compound Name: | 1-({(2S)-4,4-difluoro-1-[4-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C17 H16 F5 N5 O3 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(c2ccc(cc2)OC(F)(F)F)=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1066 |
| logD: | 2.1066 |
| logSw: | -2.7072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.118 |
| InChI Key: | OTHJELSZXBTDBH-LLVKDONJSA-N |