1-({(2S)-1-[(3-chlorophenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[(3-chlorophenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[(3-chlorophenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0103 |
| Compound Name: | 1-({(2S)-1-[(3-chlorophenyl)acetyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 397.81 |
| Molecular Formula: | C17 H18 Cl F2 N5 O2 |
| Smiles: | CNC(c1cn(C[C@@H]2CC(CN2C(Cc2cccc(c2)[Cl])=O)(F)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6988 |
| logD: | 1.6988 |
| logSw: | -2.6005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.654 |
| InChI Key: | ZFQCKMNYRLFWKP-ZDUSSCGKSA-N |