N-hexyl-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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N-hexyl-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
379726-91-7
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Formula:
C28H32N4S
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Chemical Name:
N-hexyl-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
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Synonyms:
ZINC3226988;AKOS001032450;MCULE-2508105246;Z56827341;379726-91-7;N-hexyl-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide
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CAS No:
N-hexyl-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes
456.6 g/mol
456.23476821 g/mol
Computed Properties
Molecular Weight:456.6
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:456.23476821
Monoisotopic Mass:456.23476821
Topological Polar Surface Area:66.4
Heavy Atom Count:33
Complexity:629
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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