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Basic information
- Standard SMILES
Cc1cnc(NC(=O)c2cc(Oc3ccc4c(c3Cl)OCCN(C)C4=O)cc(O[C@H]3CCOC3)c2)cn1- InChIKey
KOBIOAYIKUOZMC-KRWDZBQOSA-N- Molecular formula
- C26H25ClN4O6
- Average molar mass
- 525 g/mol
Names & identifiers
- Preferred name
- 3-[(9-Chloro-4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]-N-(5-methylpyrazin-2-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-(5-methylpyrazin-2-yl)-5-[(3S)-oxolan-3-yl]oxybenzamide
Names & synonyms
SCHEMBL1776294KOBIOAYIKUOZMC-KRWDZBQOSA-N3-[(9-Chloro-4-methyl-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-8-yl)oxy]-N-(5-methylpyrazin-2-yl)-5-[(3S)-tetrahydrofuran-3-yloxy]benzamide
Database identifiers
- PubChem CID
- 15949865
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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