2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

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Names

[ CAS No. ]:
81262-74-0

[ Name ]:
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

Chemical & Physical Properties

[ Density]:
1.38g/cm3

[ Boiling Point ]:
716.4ºC at 760 mmHg

[ Molecular Formula ]:
C26H22ClFN4O2S

[ Molecular Weight ]:
508.99500

[ Flash Point ]:
387.1ºC

[ Exact Mass ]:
508.11400

[ PSA ]:
83.74000

[ LogP ]:
4.62200

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL2810300
CHEMICAL NAME :
Piperazine, 1-(4-chlorophenyl)-4-(((3-(3-fluorophenyl)-3,4-dihydr o-4-oxo-2-quinazoliny l) thio)acetyl)-
CAS REGISTRY NUMBER :
81262-74-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H22-Cl-F-N4-O2-S
MOLECULAR WEIGHT :
509.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 32,24,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-(3-fluorophenyl)-2-mercaptoquinazolin-4(3H)-one
  • piperazine, 1-(chloroacetyl)-4-(4-chlorophenyl)-

DownStream

Related Compounds

  • 1-(2-Methylprop-2-enyl)-4-nitro-1H-pyrazole
  • 3-Nitro-1-(2-phenoxyethyl)-1H-pyrazole
  • 1-[(3,4-Difluorophenyl)methyl]-4-nitro-1H-pyrazole
  • 3,5-Dibromo-1-[(2,6-difluorophenyl)methyl]-1H-1,2,4-triazole
  • 4-Bromo-2-{[(butan-2-yl)amino]methyl}phenol
  • (Butan-2-yl)({[4-(2-methylpropyl)phenyl]methyl})amine
  • 3,5-Dibromo-1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazole
  • 1-(2,4-Difluorobenzoyl)-3-methylpiperazine
  • 1-(3,5-Difluorobenzoyl)-3-methylpiperazine
  • 1-(3,5-Dichlorobenzoyl)-2-methylpiperazine
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