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2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile

2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile structure

CAS No:
289711-78-0
Formula:
C26H25N3OS
Chemical Name:
2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile
Synonyms:
2-[(cyanomethyl)sulfanyl]-3-(4-methylphenyl)-4-oxo-3,4,5,6-tetrahydrospiro(benzo[h]quinazoline-5,1'-cyclohexane);Oprea1_431325;Oprea1_872279;ZINC2115827;STK805406;AKOS000547967;MCULE-6122478916;AL-281/11337015;{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetonitrile;289711-78-0

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2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile Basic Attributes

Molecular Weight：

427.6 g/mol

Exact Mass：

427.17183360 g/mol

Characteristics

PSA：

81.8 Å²

Computed Properties

Molecular Weight:427.6
XLogP3:6.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:427.17183360
Monoisotopic Mass:427.17183360
Topological Polar Surface Area:81.8
Heavy Atom Count:31
Complexity:823
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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