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ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate structure

CAS No:
733790-49-3
Formula:
C17H15ClN2O3S2
Chemical Name:
ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Synonyms:
2-[[(2-chlorophenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester;MLS000775702;CHEMBL1531680;CHEBI:120492;HMS2713J22;ZINC13637987;AKOS034385088;MCULE-8388060670;ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate;SMR000369276;Q27208339;Z46201588;733790-49-3;ethyl 2-{[(2-chlorophenyl)sulfanyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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Description

2-[[(2-chlorophenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Basic Attributes

Molecular Weight：

394.9 g/mol

Exact Mass：

394.0212624 g/mol

Characteristics

PSA：

121 Å²

Computed Properties

Molecular Weight:394.9
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:394.0212624
Monoisotopic Mass:394.0212624
Topological Polar Surface Area:121
Heavy Atom Count:25
Complexity:560
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[(2-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Description
Basic Attributes
Characteristics
Computed Properties
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