1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0700 |
| Compound Name: | 1-{[(2S)-1-(2,4-dimethylbenzoyl)-4,4-difluoropyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C20 H25 F2 N5 O3 |
| Smiles: | Cc1ccc(C(N2CC(C[C@H]2Cn2cc(C(NCCOC)=O)nn2)(F)F)=O)c(C)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0386 |
| logD: | 2.0386 |
| logSw: | -2.8508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.214 |
| InChI Key: | FGFYBUVELZRYQD-OAHLLOKOSA-N |