N-[rel-(3R,4S)-1-[(4-chlorophenyl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(4-chlorophenyl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(4-chlorophenyl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-0436 |
| Compound Name: | N-[rel-(3R,4S)-1-[(4-chlorophenyl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C21 H22 Cl N5 O |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc(cc2)[Cl])C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 3.0266 |
| logD: | 2.4431 |
| logSw: | -3.5748 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.224 |
| InChI Key: | JQOXZWKYKLCAAS-RTBURBONSA-N |