N-benzyl-1-{[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-{[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-{[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB20-1013 |
| Compound Name: | N-benzyl-1-{[(2S)-1-(4-phenylbutanoyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | C(CC(N1CCC[C@H]1Cn1cc(C(NCc2ccccc2)=O)nn1)=O)Cc1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4039 |
| logD: | 3.4039 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.298 |
| InChI Key: | ASXUYZBNZOOZPX-QFIPXVFZSA-N |