N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
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![N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3a816d1db44149c495effaa372b37d24.png "N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide")
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
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CAS No:
315710-01-1
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Formula:
C19H17N3O3S2
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Chemical Name:
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
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Synonyms:
ChemDiv1_009079;HMS612M15;ZINC1896028;AKOS001011456;MCULE-8103869617;ST50401938;SR-01000477431;SR-01000477431-1;Z20228725;315710-01-1;N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2-(5,6,7-trihydrocyclopenta[1,2-d]p yrimidino[4,5-b]thiophen-4-ylthio)acetamide;N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
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CAS No:
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide Basic Attributes
399.5 g/mol
399.07113376 g/mol
Computed Properties
Molecular Weight:399.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:399.07113376
Monoisotopic Mass:399.07113376
Topological Polar Surface Area:127
Heavy Atom Count:27
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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