N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
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![N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7eceacd857844472814087ddf7f396f9.png "N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide")
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
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CAS No:
690642-45-6
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Formula:
C21H21N3O3S2
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Chemical Name:
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
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Synonyms:
690642-45-6;N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide;N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamide;ZINC2845733;AKOS000812539;MCULE-4541912168;VU0618189-1;F3394-0610;N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
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CAS No:
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide Basic Attributes
427.5 g/mol
427.10243389 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:427.10243389
Monoisotopic Mass:427.10243389
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:583
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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