2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid
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![2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/76332e6096eb43a098fbddf7ac0dde5b.png "2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid")
2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid
structure -
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CAS No:
896838-08-7
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Formula:
C19H16N4O2S
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Chemical Name:
2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid
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Synonyms:
ZINC2226856;STK575701;AKOS005500341;MCULE-6433092628;2-(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid;896838-08-7
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CAS No:
2-(7-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid Basic Attributes
364.4 g/mol
364.09939694 g/mol
Computed Properties
Molecular Weight:364.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:364.09939694
Monoisotopic Mass:364.09939694
Topological Polar Surface Area:109
Heavy Atom Count:26
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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