N-benzyl-1-{[(2S,4S)-1-(ethoxyacetyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(ethoxyacetyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(ethoxyacetyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-0440 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(ethoxyacetyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C19 H24 F N5 O3 |
| Smiles: | CCOCC(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.8255 |
| logD: | 0.8255 |
| logSw: | -1.6723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.562 |
| InChI Key: | VBNOCOQJWUKAKI-JKSUJKDBSA-N |