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4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile structure

CAS No:
130320-49-9
Formula:
C31H31N5O3
Chemical Name:
4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Synonyms:
Bdf 9145;

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4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile Basic Attributes

Molecular Weight：

521.61000

Exact Mass：

521.24268987 g/mol

Characteristics

PSA：

108.54000

XLogP3：

3.96466

Density：

1.33g/cm3

Boiling Point：

782.7ºC

Flash Point：

427.1ºC

Refractive Index：

1.686

Vapor Pressure：

8.47E-26mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-(3-(4-((4-cyanomethoxyphenyl)phenylmethyl)-1-piperazinyl)-2-hydroxypropoxy)-1H-indole-2-carbonitrile

Computed Properties

Molecular Weight:521.6
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:521.24268987
Monoisotopic Mass:521.24268987
Topological Polar Surface Area:109
Heavy Atom Count:39
Complexity:847
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile

Basic Attributes
Characteristics
Drug Information
Computed Properties

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