N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0567 |
| Compound Name: | N-[(3S,5S)-1-[(4-chlorophenyl)acetyl]-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 423.9 |
| Molecular Formula: | C22 H22 Cl N5 O2 |
| Smiles: | CC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2271 |
| logD: | 3.2209 |
| logSw: | -3.8055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.983 |
| InChI Key: | PISHLBHNABHDRZ-MOPGFXCFSA-N |