 Home > Encyclopedia > 2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure

CAS No:
496796-99-7
Formula:
C27H26BrN3OS
Chemical Name:
2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC2304487;STK605978;AKOS005541814;MCULE-4969285443;4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;496796-99-7

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2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

Molecular Weight：

520.5 g/mol

Exact Mass：

519.09800 g/mol

Characteristics

PSA：

62.7 Å²

Computed Properties

Molecular Weight:520.5
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:519.09800
Monoisotopic Mass:519.09800
Topological Polar Surface Area:62.7
Heavy Atom Count:33
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-bromophenyl)-6-(4-methoxyphenyl)-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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