 Home > Encyclopedia > 1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one structure

CAS No:
731797-36-7
Formula:
C21H21Cl2N3O2S
Chemical Name:
1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Synonyms:
ZINC3295757;AKOS001048725;MCULE-1857717544;UPCMLD0ENAT5210767:001;NCGC00335888-01;AB01327839-02;Z56955736;1-({5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one;731797-36-7

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1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Basic Attributes

Molecular Weight：

450.4 g/mol

Exact Mass：

449.0731535 g/mol

Characteristics

PSA：

82.3 Å²

Computed Properties

Molecular Weight:450.4
XLogP3:5.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:449.0731535
Monoisotopic Mass:449.0731535
Topological Polar Surface Area:82.3
Heavy Atom Count:29
Complexity:533
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[[5-[(4-chlorophenoxy)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one

Basic Attributes
Characteristics
Computed Properties

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