1-{[(2S)-4,4-difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)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-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-4,4-difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-0734 |
| Compound Name: | 1-{[(2S)-4,4-difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C16 H20 F2 N6 O4 |
| Smiles: | Cc1c(C(N2CC(C[C@H]2Cn2cc(C(NCCOC)=O)nn2)(F)F)=O)ocn1 |
| Stereo: | ABSOLUTE |
| logP: | -0.2839 |
| logD: | -0.2839 |
| logSw: | -1.4339 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.129 |
| InChI Key: | YIYJMSLAXQSTPQ-LLVKDONJSA-N |