N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1304 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-fluorophenoxy)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C22 H22 F N5 O3 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7351 |
| logD: | 1.7307 |
| logSw: | -2.3582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.112 |
| InChI Key: | LIOAAERSNYKTKY-RTBURBONSA-N |