N-[rel-(3R,4S)-1-[(2-chlorophenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(2-chlorophenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(2-chlorophenyl)acetyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1313 |
| Compound Name: | N-[rel-(3R,4S)-1-[(2-chlorophenyl)acetyl]-4-(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]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(Cc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9175 |
| logD: | 2.9132 |
| logSw: | -3.5569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.613 |
| InChI Key: | ZJQPFVIIDTTWNI-IEBWSBKVSA-N |