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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate

(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate structure

CAS No:
733013-78-0
Formula:
C20H20N2O5S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate
Synonyms:
ZINC3315528;AKOS034438045;MCULE-1929285562;Z53787117;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2,6-dimethoxybenzoate;733013-78-0

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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate Basic Attributes

Molecular Weight：

400.4 g/mol

Exact Mass：

400.10929292 g/mol

Characteristics

PSA：

115 Å²

Computed Properties

Molecular Weight:400.4
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:400.10929292
Monoisotopic Mass:400.10929292
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:630
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate

Basic Attributes
Characteristics
Computed Properties
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