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

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

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

CAS No:
540774-30-9
Formula:
C30H27ClN4S
Chemical Name:
N-benzyl-6-(4-chlorophenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_161296;ZINC2245693;STL006753;AKOS016365439;MCULE-7226488559;540774-30-9;N-benzyl-4-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

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

Molecular Weight：

511.1 g/mol

Exact Mass：

510.1644957 g/mol

Characteristics

PSA：

66.4 Å²

Computed Properties

Molecular Weight:511.1
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:510.1644957
Monoisotopic Mass:510.1644957
Topological Polar Surface Area:66.4
Heavy Atom Count:36
Complexity:743
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-benzyl-6-(4-chlorophenyl)-2-(4-methylphenyl)-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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