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Home > Encyclopedia > cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

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

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

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

structure
  • CAS No:

    731779-19-4

  • Formula:

    C15H15N3O3S

  • Chemical Name:

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

  • 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

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

Characteristics

120 Ų

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

Guide of cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

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