1-[3-(3,4-Dichloroanilino)-8-thia-4,6,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

HCID 66849986
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Basic information

Standard SMILES
CC(C)N(C)CC=CC(=O)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1
InChIKey
RYABGBRVVKKVMU-UHFFFAOYSA-N
Molecular formula
C24H27Cl2N5OS
Average molar mass
504.5 g/mol

Names & identifiers

Preferred name
1-[3-(3,4-Dichloroanilino)-8-thia-4,6,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one
IUPAC
1-[3-(3,4-dichloroanilino)-8-thia-4,6,11-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-11-yl]-4-[methyl(propan-2-yl)amino]but-2-en-1-one

Names & synonyms

SCHEMBL938549

Database identifiers

PubChem CID
66849986

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
89.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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