1-{[(2S,4S)-1-(3,5-dimethylbenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3,5-dimethylbenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,5-dimethylbenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1253 |
| Compound Name: | 1-{[(2S,4S)-1-(3,5-dimethylbenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C17 H20 F N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)C(N1C[C@H](C[C@H]1Cn1cc(C(N)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2154 |
| logD: | 1.2154 |
| logSw: | -1.4909 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.405 |
| InChI Key: | OQFDWOAURULRKC-UONOGXRCSA-N |