2-(14,14-dimethyl-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-(14,14-dimethyl-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/20220811/1cdc10275fed4b5caeb43d26de3e5211.png "2-(14,14-dimethyl-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-(14,14-dimethyl-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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CAS No:
893676-69-2
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Formula:
C19H16N4O3S
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Chemical Name:
2-(14,14-dimethyl-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:
ZINC2432334;STK720295;AKOS005529193;MCULE-7272207762;2-(10,10-dimethyl-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;893676-69-2
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CAS No:
2-(14,14-dimethyl-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
380.4 g/mol
380.09431156 g/mol
Computed Properties
Molecular Weight:380.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:380.09431156
Monoisotopic Mass:380.09431156
Topological Polar Surface Area:118
Heavy Atom Count:27
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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