Thiophene-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethyl ester

HCID 19934733
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Basic information

Standard SMILES
COc1ccc(Cl)c(Oc2c(COCCOC(=O)c3ccsc3)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIKey
IYGMGKCMEJLVRK-UHFFFAOYSA-N
Molecular formula
C29H30ClN3O7S2
Average molar mass
632.1 g/mol

Names & identifiers

Preferred name
Thiophene-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethyl ester
IUPAC
2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]methoxy]ethyl thiophene-3-carboxylate

Names & synonyms

SCHEMBL7010192IYGMGKCMEJLVRK-UHFFFAOYSA-Nthiophene-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethyl ester

Database identifiers

PubChem CID
19934733

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
163 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
14
Heavy atoms
42

Related reactions

1 records
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Compound notes

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