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 |