(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3,4-dimethoxy-phenyl)-amine

HCID 71815445
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Basic information

Standard SMILES
COc1ccc(Nc2n[nH]c3c2Cc2sccc2-3)cc1OC
InChIKey
LJBFQSXHBSELEO-UHFFFAOYSA-N
Molecular formula
C16H15N3O2S
Average molar mass
313.4 g/mol

Names & identifiers

Preferred name
(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3,4-dimethoxy-phenyl)-amine
IUPAC
N-(3,4-dimethoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine

Names & synonyms

SCHEMBL15312057LJBFQSXHBSELEO-UHFFFAOYSA-N(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3,4-dimethoxy-phenyl)-amine

Database identifiers

PubChem CID
71815445

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
87.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Related reactions

1 records
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Compound notes

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