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Home > Encyclopedia > 3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene structure

3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene 

structure
  • CAS No:

    799799-23-8

  • Formula:

    C28H30N2O2S2

  • Chemical Name:

    3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

  • Synonyms:

    ZINC2222056;STK844516;AKOS001492064;MCULE-7191964729;4-(benzylsulfanyl)-2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;4-(benzylthio)-2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine;799799-23-8

3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene Basic Attributes

490.7 g/mol

490.17487055 g/mol

Characteristics

97.8 Ų

Computed Properties

Molecular Weight:490.7
XLogP3:7.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:490.17487055
Monoisotopic Mass:490.17487055
Topological Polar Surface Area:97.8
Heavy Atom Count:34
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-benzylsulfanyl-5-(4-butoxyphenyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene

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