Basic information
- Standard SMILES
CN1CCOc2c(ccc(Oc3cc(O[C@H]4CCOC4)cc(C(=O)Nc4ccn(C)n4)c3)c2Cl)C1=O- InChIKey
NHXIUWMZYAXCKG-INIZCTEOSA-N- Molecular formula
- C25H25ClN4O6
- Average molar mass
- 512.9 g/mol
- Monoisotopic mass
- 512.1462622
Names & identifiers
- Preferred name
- 3-[(9-Chloro-4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[(3S)-tetrahydrofuran-3-yloxy]benzamide
- IUPAC
- 3-[(9-chloro-4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-oxolan-3-yl]oxybenzamide
Names & synonyms
SCHEMBL1774772NHXIUWMZYAXCKG-INIZCTEOSA-N3-[(9-Chloro-4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methyl-1H-pyrazol-3-yl)-5-[(3S)-tetrahydrofuran-3-yloxy]benzamide
Database identifiers
- PubChem CID
- 15949591
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 792
Related reactions
2 records
Compound notes
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