(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-bromobenzoate
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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-bromobenzoate
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CAS No:
733007-17-5
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Formula:
C18H15BrN2O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-bromobenzoate
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Synonyms:
ZINC03313956;ZINC3867048;AKOS034438060;MCULE-6611393126;Z53787361;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 2-bromobenzoate;733007-17-5
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-bromobenzoate Basic Attributes
419.3 g/mol
417.99868 g/mol
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:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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