4-(5-Methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-furonitrile

HCID 11348671
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Basic information

Standard SMILES
CC1(c2cccs2)OCC(=O)Nc2ccc(-c3coc(C#N)c3)cc21
InChIKey
KKYLADGXVSLJLX-UHFFFAOYSA-N
Molecular formula
C19H14N2O3S
Average molar mass
350.4 g/mol

Names & identifiers

Preferred name
4-(5-Methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-furonitrile
IUPAC
4-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile

Names & synonyms

SCHEMBL3984811KKYLADGXVSLJLX-UHFFFAOYSA-N4-(5-Methyl-2-oxo-5-thien-2-yl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-furonitrile

Database identifiers

PubChem CID
11348671

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

Related reactions

3 records
New reaction record

Linked notes

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