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

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

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

CAS No:
488705-04-0
Formula:
C31H28ClN3S
Chemical Name:
2-(4-chlorophenyl)-N,6-bis(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Synonyms:
ZINC1810098;STK544313;AKOS005473609;MCULE-1596195076;4-(4-chlorophenyl)-N,1-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide;488705-04-0

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

Molecular Weight：

510.1 g/mol

Exact Mass：

509.1692468 g/mol

Characteristics

PSA：

53.5 Å²

Computed Properties

Molecular Weight:510.1
XLogP3:8.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:509.1692468
Monoisotopic Mass:509.1692468
Topological Polar Surface Area:53.5
Heavy Atom Count:36
Complexity:753
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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