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Home > Encyclopedia > 4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile

4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile

4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile structure

4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile 

structure
  • CAS No:

    477329-31-0

  • Formula:

    C25H21N3O2S2

  • Chemical Name:

    4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile

  • Synonyms:

    4-(((3-(4-Methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile;4-({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile;477329-31-0;ZINC1771351;STK722924;AKOS001051874;MCULE-3740683536;ST50060302;4-{[3-(4-methoxyphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyri midin-2-ylthio]methyl}benzenecarbonitrile

4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Basic Attributes

459.6 g/mol

459.10751927 g/mol

Characteristics

119 Ų

Safety Information

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:459.6
XLogP3:5.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:459.10751927
Monoisotopic Mass:459.10751927
Topological Polar Surface Area:119
Heavy Atom Count:32
Complexity:764
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile

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