1-{[(2S)-1-(2-ethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(2-ethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(2-ethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0133 |
| Compound Name: | 1-{[(2S)-1-(2-ethoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C18 H21 F2 N5 O3 |
| Smiles: | CCOc1ccccc1C(N1CC(C[C@H]1Cn1cc(C(NC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1656 |
| logD: | 1.1656 |
| logSw: | -2.3407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.391 |
| InChI Key: | HHULHYSEEITGHW-GFCCVEGCSA-N |