11-methylene-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine

HCID 21323409
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Basic information

Standard SMILES
C=C1c2ccccc2C=Cn2c(SC)nnc21
InChIKey
FLFVQXOEZNFNIL-UHFFFAOYSA-N
Molecular formula
C13H11N3S
Average molar mass
241.31 g/mol

Names & identifiers

Preferred name
11-methylene-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine
IUPAC
11-methylidene-3-methylsulfanyl-[1,2,4]triazolo[3,4-b][3]benzazepine

Names & synonyms

SCHEMBL11549626FLFVQXOEZNFNIL-UHFFFAOYSA-N11-methylene-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine

Database identifiers

PubChem CID
21323409

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
56 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

4 records
New reaction record

Linked notes

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