1-{[(2S,4S)-4-fluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-4-fluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-4-fluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0039 |
| Compound Name: | 1-{[(2S,4S)-4-fluoro-1-{[(4-fluorophenyl)methyl]carbamoyl}pyrrolidin-2-yl]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C18 H22 F2 N6 O2 |
| Smiles: | CN(C)C(c1cn(C[C@@H]2C[C@@H](CN2C(NCc2ccc(cc2)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.2522 |
| logD: | 0.2522 |
| logSw: | -1.5923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.489 |
| InChI Key: | RSRZLTSABFNCAH-CABCVRRESA-N |