2-[[8-oxo-7-(2-phenylethyl)-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
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![2-[[8-oxo-7-(2-phenylethyl)-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](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/301ea0e1ac2a4ca2af43075ebacb87c3.png "2-[[8-oxo-7-(2-phenylethyl)-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-[[8-oxo-7-(2-phenylethyl)-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 -
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CAS No:
498570-12-0
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Formula:
C21H20N4O3S2
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Chemical Name:
2-[[8-oxo-7-(2-phenylethyl)-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
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Synonyms:
CBKinase1_007828;CBKinase1_020228;STL312489;AKOS022139212;ZINC100274257;BRD-K31912072-001-01-5;{[5-oxo-4-(2-phenylethyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetic acid;498570-12-0
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CAS No:
2-[[8-oxo-7-(2-phenylethyl)-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
440.5 g/mol
440.09768286 g/mol
Computed Properties
Molecular Weight:440.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:440.09768286
Monoisotopic Mass:440.09768286
Topological Polar Surface Area:142
Heavy Atom Count:30
Complexity:662
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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