N-[rel-(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
N-[rel-(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB33-1286 |
| Compound Name: | N-[rel-(3R,4S)-1-[(5-methylfuran-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | CC(N[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1c1nc(c2ccccc2)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1909 |
| logD: | 0.6532 |
| logSw: | -2.7743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.487 |
| InChI Key: | QRBKBFVYHLUCOO-ROUUACIJSA-N |