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2-[[3,4-Dihydro-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 2-[(4-methoxyphenyl)methylene]hydrazide

HCID 1909718
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Basic information

CAS
312946-38-6
Standard SMILES
COc1ccc(C=NNC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)cc1
InChIKey
GBLHJQNISDJDQQ-UHFFFAOYSA-N
Molecular formula
C29H24N4O3S2
Average molar mass
540.7 g/mol
Monoisotopic mass
540.12898299

Names & identifiers

Preferred name
2-[[3,4-Dihydro-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 2-[(4-methoxyphenyl)methylene]hydrazide
IUPAC
N-[(4-methoxyphenyl)methylideneamino]-2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

Names & synonyms

DTXSID6011020292-[[3,4-Dihydro-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 2-[(4-methoxyphenyl)methylene]hydrazide312946-38-6N'-[(4-methoxyphenyl)methylidene]-2-{[5-(4-methylphenyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetohydrazide

Database identifiers

CAS
312946-38-6
PubChem CID
1909718
DTXSID
DTXSID601102029

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
137 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
877

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