N-benzyl-1-{[(2S,4S)-1-(ethylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(ethylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(ethylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1685 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(ethylcarbamoyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C18 H23 F N6 O2 |
| Smiles: | CCNC(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1815 |
| logD: | 1.1815 |
| logSw: | -1.7877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.799 |
| InChI Key: | BEVNUHYVGJWZQH-LSDHHAIUSA-N |