1-[2-acetamido-4-methyl-5-thiazolylsulfonyl]-5-methoxy-2-[[(3,5-dimethyl-4-methoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

HCID 10218459

Notes Reactions

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Basic information

Standard SMILES: COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1sc(NC(C)=O)nc1C
InChIKey: XDEIYZHJTSSWGH-UHFFFAOYSA-N
Molecular formula: C23H25N5O6S3
Average molar mass: 563.7 g/mol

Names & identifiers

Preferred name: 1-[2-acetamido-4-methyl-5-thiazolylsulfonyl]-5-methoxy-2-[[(3,5-dimethyl-4-methoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
IUPAC: N-[5-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide

Names & synonyms

SCHEMBL7010380XDEIYZHJTSSWGH-UHFFFAOYSA-N1-[2-acetamido-4-methyl-5-thiazolylsulfonyl]-5-methoxy-2-[[(3,5-dimethyl-4-methoxy-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole

Database identifiers

PubChem CID: 10218459

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 198 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 952

Related reactions

2 records

New reaction record

HRID 411616As productuspto-grants-2003_05

HRID 2350613As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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