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

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

CAS No:
730246-85-2
Formula:
C18H15IN2O3S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-iodobenzoate
Synonyms:
ZINC3294790;AKOS034438024;MCULE-3943427771;AB00979485-01;Z53786870;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 4-iodobenzoate;730246-85-2

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

Molecular Weight：

466.3 g/mol

Exact Mass：

465.98481 g/mol

Characteristics

PSA：

96 Å²

Computed Properties

Molecular Weight:466.3
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:465.98481
Monoisotopic Mass:465.98481
Topological Polar Surface Area:96
Heavy Atom Count:25
Complexity:577
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 4-iodobenzoate

Basic Attributes
Characteristics
Computed Properties
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