N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine
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![N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3674c84f1fd443e386d460d755a0f6c1.png "N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine")
N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine
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CAS No:
799806-97-6
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Formula:
C22H31N5S
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Chemical Name:
N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine
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Synonyms:
Oprea1_027587;ZINC2225866;STK721538;AKOS005530131;MCULE-2453352857;799806-97-6;N,N-diethyl-N'-[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
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CAS No:
N',N'-diethyl-N-[7-(2-methylpropyl)-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]ethane-1,2-diamine Basic Attributes
397.6 g/mol
397.23001718 g/mol
Computed Properties
Molecular Weight:397.6
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:397.23001718
Monoisotopic Mass:397.23001718
Topological Polar Surface Area:82.2
Heavy Atom Count:28
Complexity:499
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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