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

HCID 71815098
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Basic information

Standard SMILES
COc1ccc(-c2n[nH]c3c2Cc2sc(-c4ccccc4)cc2-3)cc1
InChIKey
UOYUHDJIGQWDFH-UHFFFAOYSA-N
Molecular formula
C21H16N2OS
Average molar mass
344.4 g/mol
Monoisotopic mass
344.09833431

Names & identifiers

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

Names & synonyms

SCHEMBL15311931UOYUHDJIGQWDFH-UHFFFAOYSA-N6-(4-Methoxy-phenyl)-2-phenyl-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene

Database identifiers

PubChem CID
71815098

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
66.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
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Compound notes

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