2-methoxy-N-[(3S,5S)-1-(oxane-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Chemical Structure Depiction of
2-methoxy-N-[(3S,5S)-1-(oxane-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
2-methoxy-N-[(3S,5S)-1-(oxane-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide
Compound characteristics
| Compound ID: | SB18-0694 |
| Compound Name: | 2-methoxy-N-[(3S,5S)-1-(oxane-4-carbonyl)-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]acetamide |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | COCC(N[C@H]1C[C@@H](c2nc(c3ccccc3)n[nH]2)N(C1)C(C1CCOCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3426 |
| logD: | 1.3363 |
| logSw: | -1.7954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.923 |
| InChI Key: | AAFHWPTXBZVELN-SJORKVTESA-N |