1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0118 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 381.36 |
| Molecular Formula: | C17 H18 F3 N5 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1CC(C[C@H]1Cn1cc(C(NC)=O)nn1)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5008 |
| logD: | 1.5008 |
| logSw: | -2.1386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.181 |
| InChI Key: | FSEOUNGXBCQLDR-LBPRGKRZSA-N |