N,N-dimethyl-6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide

HCID 21486010
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Basic information

Standard SMILES
CN(C)C(=O)c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIKey
SOHKPZHPOQLBED-UHFFFAOYSA-N
Molecular formula
C19H16ClN5O
Average molar mass
365.8 g/mol
Monoisotopic mass
365.1043378

Names & identifiers

Preferred name
N,N-dimethyl-6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
IUPAC
8-chloro-N,N-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide

Names & synonyms

SCHEMBL11759806SOHKPZHPOQLBED-UHFFFAOYSA-NN,N-dimethyl-6-phenyl-8-chloro-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide

Database identifiers

PubChem CID
21486010

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
63.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

Related reactions

5 records
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Compound notes

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