1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one

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Basic information

CAS: 25894-74-0
Standard SMILES: CCOC1c2cc(OC)ccc2C(=O)CCN1S(=O)(=O)c1ccc(C)cc1
InChIKey: OZKDXCYUVGXPBR-UHFFFAOYSA-N
Molecular formula: C20H23NO5S
Average molar mass: 389.5 g/mol
Monoisotopic mass: 389.12969401

Names & identifiers

Preferred name: 1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one
IUPAC: 1-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-one

Names & synonyms

25894-74-0NSC1638431-ethoxy-8-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2-benzazepin-5-oneDTXSID00303982NSC-1638431-Ethoxy-8-methoxy-2-(4-methylbenzene-1-sulfonyl)-1,2,3,4-tetrahydro-5H-2-benzazepin-5-one

Database identifiers

CAS: 25894-74-0
PubChem CID: 294795
DTXSID: DTXSID00303982

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 608

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Compound notes

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