AC1L4IQX
[(4aS,8S,8aS)-2-acetamido-8a-acetyl-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8-yl] acetate
Also Known As: [(4aS,8S,8aS)-2-acetamido-8a-acetyl-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8-yl] Acetate|Acetamide, N-(8a-acetyl-8-(acetyloxy)-1,4,4a,5,8,8a-hexahydro-6-methyl-4-oxo-2-quinazolinyl)-, cis-|Carbamic acid,(5,6-diamino-4-hydroxy-2-pyridinyl)-,ethyl ester|(4AS,8S,8aS)-2-acetamido-8a-acetyl-6-methyl-4-oxo-1,4,4a,5,8,8a-hexahydroquinazolin-8-yl acetate|(4AS,8S,8aS)-2-acetamido-8a-acetyl-6-methyl-4-oxo-1,4,4a,5,8,8a-hexahydroquinazolin-8-ylacetate|(4aS,8S,8aS)-8a-acetyl-2-(acetylamino)-6-methyl-4-oxo-3,4,4a,5,8,8a-hexahydroquinazolin-8-yl acetate|(4aS,8S,8aS)-8a-acetyl-2-acetamido-6-methyl-4-oxo-1,4,4a,5,8,8a-hexahydroquinazolin-8-yl acetate|N-[(4aS,8S,8aS)-8a-Acetyl-8-(acetyloxy)-4-hydroxy-6-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid|N-[8a-Acetyl-8-(acetyloxy)-4-hydroxy-6-methyl-4a,5,8,8a-tetrahydroquinazolin-2-yl]ethanimidic acid
| Molecular Formula | C15H19N3O5 |
|---|---|
| Molecular Weight | 321.13248 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.13248 |
| Monoisotopic Mass | 321.13248 |
| Heavy Atoms | 23 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 86970-99-2 |
|---|---|
| SMILES | CC1=C[C@@H]([C@@]2([C@H](C1)C(=O)NC(=N2)NC(=O)C)C(=O)C)OC(=O)C |
| InChIKey | QFLNFLJYEDWRAV-XUJVJEKNSA-N |
Product Overview
AC1L4IQX (CAS 86970-99-2), with molecular formula C15H19N3O5 and molecular weight 321.13248 g/mol. IUPAC: [(4aS,8S,8aS)-2-acetamido-8a-acetyl-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8-yl] acetate.
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