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2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione

2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione structure

CAS No:
21640-35-7
Formula:
C16H11NO3
Chemical Name:
2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione
Synonyms:
1,3,4(2H)-Isoquinolinetrione,2-(phenylmethyl)-;1,3,4(2H)-Isoquinolinetrione,2-benzyl-;2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione;2-Benzyl-isoquinoline-1,3,4-trione;2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione

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2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione Basic Attributes

Molecular Weight：

265.26344

Exact Mass：

265.26

DSSTox ID：

DTXSID80463477

HScode：

2933499090

Characteristics

PSA：

54.4

XLogP3：

1.98980

Melting Point：

185-186 °C @ Solvent: Ethanol

Computed Properties

Molecular Weight:265.26
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:265.07389321
Monoisotopic Mass:265.07389321
Topological Polar Surface Area:54.4
Heavy Atom Count:20
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione

Basic Attributes
Characteristics
Computed Properties

2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione

SDS

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