4-[(2E)-4-{4-[(3-Chloro-5-hydroxyphenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-7(6H)-yl}-4-oxobut-2-en-1-yl]-N,N-dimethylpiperazine-1-carboxamide

HCID 58116972
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Basic information

Standard SMILES
CN(C)C(=O)N1CCN(C/C=C/C(=O)N2CCc3c(sc4ncnc(Nc5cc(O)cc(Cl)c5)c34)C2)CC1
InChIKey
HOZFSDISYNHEDV-ONEGZZNKSA-N
Molecular formula
C26H30ClN7O3S
Average molar mass
556.1 g/mol

Names & identifiers

Preferred name
4-[(2E)-4-{4-[(3-Chloro-5-hydroxyphenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-7(6H)-yl}-4-oxobut-2-en-1-yl]-N,N-dimethylpiperazine-1-carboxamide
IUPAC
4-[(E)-4-[3-(3-chloro-5-hydroxyanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enyl]-N,N-dimethylpiperazine-1-carboxamide

Names & synonyms

SCHEMBL938996HOZFSDISYNHEDV-ONEGZZNKSA-N4-[(2E)-4-{4-[(3-Chloro-5-hydroxyphenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]-pyrimidin-7(6H)-yl}-4-oxobut-2-en-1-yl]-N,N-dimethylpiperazine-1-carboxamide

Database identifiers

PubChem CID
58116972

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
133 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
38

Related reactions

1 records
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Linked notes

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