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

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

CAS No:
730938-31-5
Formula:
C17H14ClN3O3S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-chloropyridine-3-carboxylate
Synonyms:
ZINC03300470;ZINC3866972;AKOS034438044;MCULE-3402516679;Z53787113;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2-chloropyridine-3-carboxylate;730938-31-5

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

Molecular Weight：

375.8 g/mol

Exact Mass：

375.0444402 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:375.8
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:375.0444402
Monoisotopic Mass:375.0444402
Topological Polar Surface Area:109
Heavy Atom Count:25
Complexity:588
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-chloropyridine-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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