N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine
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![N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b2f8b604611746be9933f34cee8dc8ae.png "N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine")
N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine
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CAS No:
845805-46-1
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Formula:
C20H27N5S2
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Chemical Name:
N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine
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Synonyms:
ZINC2417726;STL304132;AKOS022121141;MCULE-7741787495;845805-46-1;N-[9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]butane-1,4-diamine
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CAS No:
N'-(14-methylsulfanyl-7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)butane-1,4-diamine Basic Attributes
401.6 g/mol
401.17078823 g/mol
Computed Properties
Molecular Weight:401.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:401.17078823
Monoisotopic Mass:401.17078823
Topological Polar Surface Area:130
Heavy Atom Count:27
Complexity:493
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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