N-benzyl-1-{[(2S,4S)-1-(ethanesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S,4S)-1-(ethanesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S,4S)-1-(ethanesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1670 |
| Compound Name: | N-benzyl-1-{[(2S,4S)-1-(ethanesulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C17 H22 F N5 O3 S |
| Smiles: | CCS(N1C[C@H](C[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9291 |
| logD: | 0.9291 |
| logSw: | -2.1619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.764 |
| InChI Key: | XBASGNLKHSHYCE-CABCVRRESA-N |