N-[rel-(3R,4S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1373 |
| Compound Name: | N-[rel-(3R,4S)-1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | CC(N[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)C(CCn1cc(C)cn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8018 |
| logD: | 0.7974 |
| logSw: | -2.0147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.368 |
| InChI Key: | ZLEFIYWVNXTKDE-QZTJIDSGSA-N |