2-methoxy-N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)acetyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
2-methoxy-N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)acetyl]pyrrolidin-3-yl}acetamide
2-methoxy-N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)acetyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB33-0544 |
| Compound Name: | 2-methoxy-N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-2-yl)acetyl]pyrrolidin-3-yl}acetamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | COCC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5999 |
| logD: | 1.5956 |
| logSw: | -2.2926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.942 |
| InChI Key: | LJQHMSWYTWNMBG-IAGOWNOFSA-N |