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4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one structure

CAS No:
313362-09-3
Formula:
C22H24N2OS2
Chemical Name:
4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
Synonyms:
4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol;CBMicro_035878;ZINC6199521;STK834220;AKOS001599285;ZINC136531332;MCULE-2291120114;NCGC00319188-01;BIM-0036145.P001;AB01315006-02;313362-09-3

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4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one Basic Attributes

Molecular Weight：

396.6 g/mol

Exact Mass：

396.13300574 g/mol

Characteristics

PSA：

82.9 Å²

Computed Properties

Molecular Weight:396.6
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:396.13300574
Monoisotopic Mass:396.13300574
Topological Polar Surface Area:82.9
Heavy Atom Count:27
Complexity:579
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one

Basic Attributes
Characteristics
Computed Properties

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