2-[(7-butyl-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)sulfanyl]ethanol
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2-[(7-butyl-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)sulfanyl]ethanol
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CAS No:
844829-66-9
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Formula:
C18H21N3OS2
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Chemical Name:
2-[(7-butyl-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)sulfanyl]ethanol
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Synonyms:
ZINC2406712;STL304305;AKOS022106158;MCULE-3873994150;2-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethanol;844829-66-9
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CAS No:
2-[(7-butyl-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)sulfanyl]ethanol Basic Attributes
359.5 g/mol
359.11260465 g/mol
Computed Properties
Molecular Weight:359.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:359.11260465
Monoisotopic Mass:359.11260465
Topological Polar Surface Area:112
Heavy Atom Count:24
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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