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2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure

CAS No:
303051-93-6
Formula:
C17H18N2O2S
Chemical Name:
2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Synonyms:
2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile;MLS000707440;CHEMBL1520895;HMS2758N23;CCG-15881;RSC000040;STK392533;AKOS000668274;AKOS016348898;MCULE-9957362017

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2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile Basic Attributes

Molecular Weight：

314.40202

Exact Mass：

314.109

Characteristics

PSA：

104

XLogP3：

2.9

Melting Point：

214 - 215 °C (water)

Water Solubility：

>47.2 [ug/mL]

Computed Properties

Molecular Weight:314.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:314.10889899
Monoisotopic Mass:314.10889899
Topological Polar Surface Area:104
Heavy Atom Count:22
Complexity:638
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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