N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-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-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-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/b75a15d18010427fa3a2961d163827eb.png "N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine")
N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-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:
732986-98-0
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Formula:
C20H21BrN4OS
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Chemical Name:
N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-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:
STL307535;ZINC21540719;AKOS001049948;MCULE-1823077772;ST50134665;Z31200219;(3-bromophenyl)[2-(morpholin-4-ylmethyl)(5,6,7-trihydrocyclopenta[2,1-d]pyrimi dino[4,5-b]thiophen-4-yl)]amine;732986-98-0;N-(3-bromophenyl)-10-[(morpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-amine;N-(3-bromophenyl)-2-(morpholin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
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CAS No:
N-(3-bromophenyl)-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine Basic Attributes
445.4 g/mol
444.06195 g/mol
Computed Properties
Molecular Weight:445.4
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:444.06195
Monoisotopic Mass:444.06195
Topological Polar Surface Area:78.5
Heavy Atom Count:27
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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