1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1409 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C20 H25 F2 N5 O4 |
| Smiles: | Cc1cc(ccc1C(N1CC(C[C@H]1Cn1cc(C(NCCOC)=O)nn1)(F)F)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 1.5855 |
| logD: | 1.5855 |
| logSw: | -2.3393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.758 |
| InChI Key: | LUUKGGPQEPWIAS-CQSZACIVSA-N |