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Home > Encyclopedia > 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid structure

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid 

structure
  • CAS No:

    160384-40-7

  • Formula:

    C21H21ClN4O4S

  • Chemical Name:

    5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid

  • Synonyms:

    5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid;Benzeneacetic acid, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid Basic Attributes

460.93

460.0972040

Characteristics

130.73000

4.37580

1.444±0.06 g/cm3

595.7±50.0 °C(Predicted)

3.78±0.10

5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid Use and Manufacturing

Ziprasidone (Z485000) derivative.

Computed Properties

Molecular Weight:460.9
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:460.0972040
Monoisotopic Mass:460.0972040
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneaceticAcid

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