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2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide

2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide structure

CAS No:
107761-24-0
Formula:
C19H18N2O3S
Chemical Name:
2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide
Synonyms:
2-Propenamide,2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-;2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide;ST 638;ST 638 (pharmaceutical)

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2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide Basic Attributes

Molecular Weight：

354.42300

Exact Mass：

354.42

HScode：

2930909090

Characteristics

PSA：

121.64000

XLogP3：

4.17578

Density：

1.32g/cm3

Melting Point：

157-161 °C

Boiling Point：

611.2ºC

Flash Point：

323.5ºC

Refractive Index：

1.655

Storage Conditions：

-20ºC

Vapor Pressure：

1.56E-15mmHg at 25°C

Safety Information

wgk germany：

RTECS Number：

UC6316200

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

MeSH Entry Terms：

alpha-cyano-3-ethoxy-4-hydroxy-5-phenylmethylcinnamamide

Computed Properties

Molecular Weight:354.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:354.10381361
Monoisotopic Mass:354.10381361
Topological Polar Surface Area:122
Heavy Atom Count:25
Complexity:522
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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