N-[(3S,5S)-1-benzoyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Chemical Structure Depiction of
N-[(3S,5S)-1-benzoyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
N-[(3S,5S)-1-benzoyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide
Compound characteristics
| Compound ID: | SB18-0607 |
| Compound Name: | N-[(3S,5S)-1-benzoyl-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | COCC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(c1ccccc1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1297 |
| logD: | 2.1234 |
| logSw: | -2.5056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.822 |
| InChI Key: | TVZSSKFICIFHTD-MSOLQXFVSA-N |