N-benzyl-1-{[(2S)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1005 |
| Compound Name: | N-benzyl-1-{[(2S)-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C23 H24 F3 N5 O |
| Smiles: | C1C[C@@H](Cn2cc(C(NCc3ccccc3)=O)nn2)N(C1)Cc1ccccc1C(F)(F)F |
| Stereo: | ABSOLUTE |
| logP: | 3.6995 |
| logD: | 3.6822 |
| logSw: | -3.8856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.075 |
| InChI Key: | REKKDGXRUTZSNP-IBGZPJMESA-N |