cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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CAS No:
731779-19-4
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Formula:
C15H15N3O3S
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Chemical Name:
cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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Synonyms:
ZINC3336618;AKOS033453816;MCULE-3482333948;Z15947345;731779-19-4;cyanomethyl 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}propanoate
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CAS No:
cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Basic Attributes
317.4 g/mol
317.08341252 g/mol
Computed Properties
Molecular Weight:317.4
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:317.08341252
Monoisotopic Mass:317.08341252
Topological Polar Surface Area:120
Heavy Atom Count:22
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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