8-Trifluoromethyl-11H-12-thia-6,11-diaza-dibenzo[a,f]azulen-5-ylamine hydrochloride

HCID 136388574
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Basic information

Standard SMILES
Cl.NC1=Nc2cc(C(F)(F)F)ccc2Nc2sc3ccccc3c21
InChIKey
XBRWGTCOYJBBQM-UHFFFAOYSA-N
Molecular formula
C16H11ClF3N3S
Average molar mass
369.8 g/mol

Names & identifiers

Preferred name
8-Trifluoromethyl-11H-12-thia-6,11-diaza-dibenzo[a,f]azulen-5-ylamine hydrochloride
IUPAC
9-(trifluoromethyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-amine;hydrochloride

Names & synonyms

8-Trifluoromethyl-11H-12-thia-6,11-diaza-dibenzo[a,f]azulen-5-ylamine hydrochlorideSCHEMBL4840269QSQQUEHGZNSHBU-UHFFFAOYSA-N

Database identifiers

PubChem CID
136388574

Properties

Computed structural properties

Topological polar surface area
78.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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