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(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one,hydrochloride

(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one,hydrochloride structure

CAS No:
37151-51-2
Formula:
C22H29ClN4O4
Chemical Name:
(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one,hydrochloride
Synonyms:
(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one hydrochloride; Penten-3-one,5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-,hydrochloride; Piperazine,1-(2-pyrimidyl)-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-,hydrochloride; Pyrimidine,2-(4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)piperazinyl)-,hydrochloride;

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(E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one,hydrochloride Basic Attributes

Molecular Weight：

448.94300

Exact Mass：

448.1877331

Characteristics

PSA：

77.02000

XLogP3：

3.10190

Boiling Point：

615ºC

Flash Point：

325.7ºC

Computed Properties

Molecular Weight:448.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:448.1877331
Monoisotopic Mass:448.1877331
Topological Polar Surface Area:77
Heavy Atom Count:31
Complexity:533
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of (E)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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