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

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

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

CAS No:
750602-37-0
Formula:
C27H30ClN5S
Chemical Name:
6-(4-chlorophenyl)-2-[(4-methylanilino)methyl]-N-propan-2-yl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC3266698;AKOS001056000;MCULE-4487209592;Z56853887;6-(4-chlorophenyl)-2-{[(4-methylphenyl)amino]methyl}-N-(propan-2-yl)-1,3,4-triazatricyclo[5.4.1.0^{4,12}]dodeca-2,5,7(12)-triene-5-carbothioamide;750602-37-0

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6-(4-chlorophenyl)-2-[(4-methylanilino)methyl]-N-propan-2-yl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide Basic Attributes

Molecular Weight：

492.1 g/mol

Exact Mass：

491.1910448 g/mol

Characteristics

PSA：

78.4 Å²

Computed Properties

Molecular Weight:492.1
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:491.1910448
Monoisotopic Mass:491.1910448
Topological Polar Surface Area:78.4
Heavy Atom Count:34
Complexity:691
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-chlorophenyl)-2-[(4-methylanilino)methyl]-N-propan-2-yl-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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