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

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

CAS No:
727978-63-4
Formula:
C18H15BrN2O3S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-bromobenzoate
Synonyms:
ZINC03370795;ZINC3867356;ZINC03867356;AKOS034441577;MCULE-2726725410;AB00720981-01;Z54610738;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 4-bromobenzoate;727978-63-4

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

Molecular Weight：

419.3 g/mol

Exact Mass：

417.99868 g/mol

Characteristics

PSA：

96 Å²

Computed Properties

Molecular Weight:419.3
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:417.99868
Monoisotopic Mass:417.99868
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-bromobenzoate

Basic Attributes
Characteristics
Computed Properties
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