2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol
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![2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2dc32db83e56445ebef3c6c77829f40b.png "2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol")
2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol
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CAS No:
847337-11-5
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Formula:
C25H28N4OS2
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Chemical Name:
2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol
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Synonyms:
ZINC2210459;STL146213;AKOS005716043;MCULE-8346749026;2-{benzyl[9-(methylsulfanyl)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}ethanol;847337-11-5
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CAS No:
2-[benzyl-(14-methylsulfanyl-7-propyl-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)amino]ethanol Basic Attributes
464.7 g/mol
464.17045388 g/mol
Computed Properties
Molecular Weight:464.7
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:464.17045388
Monoisotopic Mass:464.17045388
Topological Polar Surface Area:116
Heavy Atom Count:32
Complexity:607
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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