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

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

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

CAS No:
540774-29-6
Formula:
C30H27ClN4S
Chemical Name:
6-(4-chlorophenyl)-N-(2-methylphenyl)-2-(4-methylphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC2251850;STL006287;AKOS005683278;MCULE-6930073767;4-(4-chlorophenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide;540774-29-6

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6-(4-chlorophenyl)-N-(2-methylphenyl)-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
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:510.1644957
Monoisotopic Mass:510.1644957
Topological Polar Surface Area:66.4
Heavy Atom Count:36
Complexity:764
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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