N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
N-{rel-(3R,4S)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)-1-[(thiophen-3-yl)acetyl]pyrrolidin-3-yl}acetamide
Compound characteristics
| Compound ID: | SB33-0405 |
| Compound Name: | N-{rel-(3R,4S)-4-(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]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9556 |
| logD: | 1.9512 |
| logSw: | -2.6142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.631 |
| InChI Key: | DWGLUCYZVYSPGO-IAGOWNOFSA-N |