 Home > Encyclopedia > 1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1)

1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1)

1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1) structure

CAS No:
65999-51-1
Formula:
C28H32ClFN2O6S
Chemical Name:
1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1)

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1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1) Basic Attributes

Molecular Weight：

579.08000

Exact Mass：

578.1653638

Characteristics

PSA：

124.84000

XLogP3：

4.58420

Boiling Point：

536ºC

Flash Point：

274.7ºC

Computed Properties

Molecular Weight:579.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:578.1653638
Monoisotopic Mass:578.1653638
Topological Polar Surface Area:125
Heavy Atom Count:39
Complexity:715
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2 -(4-methyl-1,3-dioxolan-2-yl)ethyl]piperazine (2E)-2-butenedioate (1:1)

Basic Attributes
Characteristics
Computed Properties

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