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N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-thiophen-2-ylacetamide

HCID 5221072
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Basic information

CAS
6119-55-7
Standard SMILES
Cc1cc(C)nc(SCC(=O)N(Cc2nc(-c3ccccc3)cs2)C(C(=O)Nc2ccc(N(C)C)cc2)c2cccs2)n1
InChIKey
VZWQNRWXOCNQMO-UHFFFAOYSA-N
Molecular formula
C32H32N6O2S3
Average molar mass
628.8 g/mol
Monoisotopic mass
628.17488781

Names & identifiers

Preferred name
N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-thiophen-2-ylacetamide
IUPAC
N-[4-(dimethylamino)phenyl]-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-2-thiophen-2-ylacetamide

Names & synonyms

6119-55-7AC1NQGMODTXSID40411035AKOS005222341N-{2-[4-(Dimethylamino)anilino]-2-oxo-1-(thiophen-2-yl)ethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide

Database identifiers

CAS
6119-55-7
PubChem CID
5221072
DTXSID
DTXSID40411035

Properties

Computed structural properties

XLogP
6
Topological polar surface area
173 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
43
Formal charge
0
Complexity
890

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