2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
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![2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0b193d21f345477a8a6d022957cd3432.png "2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide")
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
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CAS No:
713113-48-5
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Formula:
C21H24N4O3S2
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Chemical Name:
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
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Synonyms:
CBKinase1_009456;CBKinase1_021856;ZINC2351834;STK829919;AKOS001492042;CCG-124860;MCULE-9522416690;SR-01000286480;SR-01000286480-1;BRD-K27707688-001-01-1;2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide;2-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-ethoxyphenyl)acetamide;713113-48-5
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CAS No:
2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Basic Attributes
444.6 g/mol
444.12898299 g/mol
Computed Properties
Molecular Weight:444.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:444.12898299
Monoisotopic Mass:444.12898299
Topological Polar Surface Area:153
Heavy Atom Count:30
Complexity:603
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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