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

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

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

CAS No:
380334-81-6
Formula:
C29H25ClN4S
Chemical Name:
N-(3-chloro-2-methylphenyl)-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
Oprea1_613623;ZINC3243387;AKOS034457899;MCULE-4376469061;Z56820853;380334-81-6;N-(3-chloro-2-methylphenyl)-2,6-diphenyl-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide

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N-(3-chloro-2-methylphenyl)-2,6-diphenyl-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:738
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(3-chloro-2-methylphenyl)-2,6-diphenyl-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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