C27H26F2N4O3
(1S,9S)-N-[(2S)-1-(3,4-difluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: (1R,5R)-N-((S)-1-((3,4-difluorophenyl)amino)-1-oxo-3-phenylpropan-2-yl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide|(1S,5S)-N-{(2S)-1-[(3,4-difluorophenyl)amino]-1-oxo-3-phenylpropan-2-yl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
| Molecular Formula | C27H26F2N4O3 |
|---|---|
| Molecular Weight | 492.1973 g/mol |
| LogP | 3.5052 |
| Topological Polar Surface Area | 83.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.1973 |
| Monoisotopic Mass | 492.1973 |
| Heavy Atoms | 36 |
| Complexity | 1344.3455 |
Chemical Identifiers
| CAS Number | 956045-40-2 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)F)F |
Product Overview
C27H26F2N4O3 (CAS 956045-40-2), with molecular formula C27H26F2N4O3 and molecular weight 492.1973 g/mol. IUPAC: (1S,9S)-N-[(2S)-1-(3,4-difluoroanilino)-1-oxo-3-phenylpropan-2-yl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
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