2-Bromo-6-(4-methoxy-phenyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene

HCID 71816014
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Basic information

Standard SMILES
COc1ccc(-c2n[nH]c3c2Cc2sc(Br)cc2-3)cc1
InChIKey
DLLUMBOJGNQTMG-UHFFFAOYSA-N
Molecular formula
C15H11BrN2OS
Average molar mass
347.2 g/mol
Monoisotopic mass
345.97755

Names & identifiers

Preferred name
2-Bromo-6-(4-methoxy-phenyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
IUPAC
10-bromo-5-(4-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene

Names & synonyms

SCHEMBL15312149DLLUMBOJGNQTMG-UHFFFAOYSA-N2-Bromo-6-(4-methoxy-phenyl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene

Database identifiers

PubChem CID
71816014

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
66.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

Related reactions

17 records
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Compound notes

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