 Home > Encyclopedia > N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide structure

CAS No:
524036-80-4
Formula:
C29H25ClN4S
Chemical Name:
N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_578808;ZINC2192659;STK768984;AKOS001744918;MCULE-8496527468;ST4073879;SR-01000539850;SR-01000539850-1;524036-80-4;N-(4-chlorophenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

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N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

Molecular Weight：

497.1 g/mol

Exact Mass：

496.1488457 g/mol

Characteristics

PSA：

66.4 Å²

Computed Properties

Molecular Weight:497.1
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:496.1488457
Monoisotopic Mass:496.1488457
Topological Polar Surface Area:66.4
Heavy Atom Count:35
Complexity:728
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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