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Home > Encyclopedia > 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure

2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 

structure
  • CAS No:

    499102-53-3

  • Formula:

    C25H19ClN2O4S2

  • Chemical Name:

    2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

  • Synonyms:

    2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(4-chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;ZINC1746486;STK080377;AKOS002173971;MCULE-5592498941;ST50060425;2-(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-oxoethylthio)-3-(4-chlorophenyl)-3,5 ,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one;499102-53-3

2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes

511.0 g/mol

510.0474771 g/mol

Characteristics

122 Ų

Computed Properties

Molecular Weight:511.0
XLogP3:6.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:510.0474771
Monoisotopic Mass:510.0474771
Topological Polar Surface Area:122
Heavy Atom Count:34
Complexity:836
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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