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7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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![7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0de93c3df3c0498480e484143ac05661.png "7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene")
7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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CAS No:
799809-33-9
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Formula:
C25H25N3S2
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Chemical Name:
7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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Synonyms:
ZINC2230767;AKOS030520715;799809-33-9
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CAS No:
7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene Basic Attributes
431.6 g/mol
431.14899016 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:7.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:431.14899016
Monoisotopic Mass:431.14899016
Topological Polar Surface Area:92.2
Heavy Atom Count:30
Complexity:579
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
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