 Home > Encyclopedia > 2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid

2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid

2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid structure

CAS No:
371236-38-3
Formula:
C20H18N4O3S2
Chemical Name:
2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid
Synonyms:
ZINC2313357;AKOS030514087;2-((5-oxo-4-(m-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetic acid;371236-38-3

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2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid Basic Attributes

Molecular Weight：

426.5 g/mol

Exact Mass：

426.08203280 g/mol

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:426.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:426.08203280
Monoisotopic Mass:426.08203280
Topological Polar Surface Area:142
Heavy Atom Count:29
Complexity:668
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[7-(3-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetic acid

Basic Attributes
Characteristics
Computed Properties
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