 Home > Encyclopedia > 4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile

4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile

4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile structure

CAS No:
613227-00-2
Formula:
C23H16ClN3OS2
Chemical Name:
4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile
Synonyms:
4-({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile;C23H16ClN3OS2;ZINC2260438;STL338699;AKOS002177618;MCULE-3371743544;ST50063096;4-(((3-(4-chlorophenyl)-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzonitrile;4-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5 -b]thiophen-2-ylthio]methyl}benzenecarbonitrile;613227-00-2

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4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile Basic Attributes

Molecular Weight：

450.0 g/mol

Exact Mass：

449.0423322 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:450.0
XLogP3:5.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:449.0423322
Monoisotopic Mass:449.0423322
Topological Polar Surface Area:110
Heavy Atom Count:30
Complexity:736
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanylmethyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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