N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB18-0558 |
| Compound Name: | N-{(3S,5S)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(Cc1ccsc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3839 |
| logD: | 2.3777 |
| logSw: | -2.611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.002 |
| InChI Key: | JBBXFHNRIWLAFM-SJORKVTESA-N |