Basic information
- Standard SMILES
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C#N)cc3)cc21- InChIKey
MXKDBNVFXFJJJD-UHFFFAOYSA-N- Molecular formula
- C23H18ClN3O5S
- Average molar mass
- 483.9 g/mol
Names & identifiers
- Preferred name
- 4-(5-chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid (4-cyano-phenyl)-amide
- IUPAC
- 4-(5-chloro-2-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
Names & synonyms
SCHEMBL750752MXKDBNVFXFJJJD-UHFFFAOYSA-N4-(5-chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid (4-cyano-phenyl)-amide4-(5-chloro-2-methoxybenzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid (4-cyano-phenyl)-amide
Database identifiers
- PubChem CID
- 66788620
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 848
Related reactions
10 records
Compound notes
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