1-{[(2S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1344 |
| Compound Name: | 1-{[(2S)-1-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-4,4-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C20 H22 F2 N6 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CC(C[C@H]3Cn3cc(C(NC)=O)nn3)(F)F)=O)o2)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 1.3155 |
| logD: | 1.3155 |
| logSw: | -2.0528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.789 |
| InChI Key: | LQQALDUOXBDZMV-CYBMUJFWSA-N |