N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}acetamide
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB18-0535 |
| Compound Name: | N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)methyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(Cc2cccs2)C1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5755 |
| logD: | 2.5689 |
| logSw: | -2.8634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.779 |
| InChI Key: | DAOUAERZOUTHIA-WBVHZDCISA-N |