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

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

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

CAS No:
488851-49-6
Formula:
C27H27N3S
Chemical Name:
6-(4-methylphenyl)-2-phenyl-N-prop-2-enyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_378617;ZINC2206170;STK543172;AKOS005472966;MCULE-7772892535;1-(4-methylphenyl)-4-phenyl-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;488851-49-6

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

Molecular Weight：

425.6 g/mol

Exact Mass：

425.19256905 g/mol

Characteristics

PSA：

53.5 Å²

Computed Properties

Molecular Weight:425.6
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:425.19256905
Monoisotopic Mass:425.19256905
Topological Polar Surface Area:53.5
Heavy Atom Count:31
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-methylphenyl)-2-phenyl-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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