N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine
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![N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e419da8e95f7479a8a687072175ffc98.png "N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine")
N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine
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CAS No:
847044-59-1
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Formula:
C26H31N5S2
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Chemical Name:
N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine
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Synonyms:
C26H31N5S2;STL304219;ZINC13776921;AKOS022121144;MCULE-4461558751;847044-59-1;N,N-diethyl-N'-[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]propane-1,3-diamine
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CAS No:
N',N'-diethyl-N-(14-methylsulfanyl-7-phenyl-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)propane-1,3-diamine Basic Attributes
477.7 g/mol
477.20208836 g/mol
Computed Properties
Molecular Weight:477.7
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:477.20208836
Monoisotopic Mass:477.20208836
Topological Polar Surface Area:108
Heavy Atom Count:33
Complexity:614
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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