N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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![N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0a1118024afd4ed5980266fb5980045d.png "N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine")
N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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CAS No:
670268-47-0
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Formula:
C18H17N3O2S
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Chemical Name:
N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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Synonyms:
670268-47-0;N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine;N-[(2H-1,3-benzodioxol-5-yl)methyl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-amine;ZINC2888958;MFCD03762501;AKOS000811181;CCG-193357;MCULE-7269861043;NCGC00284572-01;AB01288872-01;SR-01000010595;SR-01000010595-1;F1142-3547;N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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CAS No:
N-(1,3-benzodioxol-5-ylmethyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine Basic Attributes
339.4 g/mol
339.10414797 g/mol
Computed Properties
Molecular Weight:339.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:339.10414797
Monoisotopic Mass:339.10414797
Topological Polar Surface Area:84.5
Heavy Atom Count:24
Complexity:468
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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