N-[(3S,5S)-1-(2,5-dimethylfuran-3-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-(2,5-dimethylfuran-3-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[(3S,5S)-1-(2,5-dimethylfuran-3-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB18-0670 |
| Compound Name: | N-[(3S,5S)-1-(2,5-dimethylfuran-3-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | Cc1cc(C(N2C[C@H](C[C@H]2c2nc(c3ccccc3)n[nH]2)NC(COC)=O)=O)c(C)o1 |
| Stereo: | ABSOLUTE |
| logP: | 2.151 |
| logD: | 2.1448 |
| logSw: | -3.1012 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.569 |
| InChI Key: | NKZIQIXDCOHKOK-AEFFLSMTSA-N |