2-[ethyl-(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-[ethyl-(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/20220811/588ddf36cbcf476ebd973e94dc9ec8a7.png "2-[ethyl-(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-[ethyl-(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:
845633-61-6
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Formula:
C20H26N4OS2
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Chemical Name:
2-[ethyl-(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:
ZINC2413121;STL304102;AKOS022120911;MCULE-3181401561;2-{ethyl[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;845633-61-6
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CAS No:
2-[ethyl-(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
402.6 g/mol
402.15480381 g/mol
Computed Properties
Molecular Weight:402.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:402.15480381
Monoisotopic Mass:402.15480381
Topological Polar Surface Area:116
Heavy Atom Count:27
Complexity:499
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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