2-(7,14,14-trimethyl-13-oxa-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-(7,14,14-trimethyl-13-oxa-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/20220812/bc683400b0e84245bcea5131b71cc482.png "2-(7,14,14-trimethyl-13-oxa-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-(7,14,14-trimethyl-13-oxa-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:
898621-86-8
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Formula:
C20H18N4O3S
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Chemical Name:
2-(7,14,14-trimethyl-13-oxa-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:
2-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid;ZINC2350221;STK583246;AKOS005506283;MCULE-6894602901;898621-86-8
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CAS No:
2-(7,14,14-trimethyl-13-oxa-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
394.4 g/mol
394.10996162 g/mol
Computed Properties
Molecular Weight:394.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:394.10996162
Monoisotopic Mass:394.10996162
Topological Polar Surface Area:118
Heavy Atom Count:28
Complexity:635
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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