3-(4-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 3-(4-氟苯基)-2-硫羰基-2,3-二氢-4(1H)-喹唑啉酮

CAS 1547-15-5 MFCD00807054

化学结构图

1547-15-5
SMILES: O=c1c2ccccc2[nH]c(=S)n1-c1ccc(F)cc1

化学属性

Mol. FormulaC14H9FN2OS
Mol. Weight272.30
Melting Point>300 °C
Boiling Point430.1±47.0 °C at 760 mmHg
Flash Point213.9±29.3 °C

别名和识别编码

Chemical Name3-(4-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CAS Number1547-15-5
Alfabeta NameFLUOROPHENYLTHIOXODIHYDROQUINAZOLINONE H3422341(())--------,
MDL NumberMFCD00807054
Chemical Name Translation3-(4-氟苯基)-2-硫羰基-2,3-二氢-4(1H)-喹唑啉酮
LabNetwork Molecule IDLN00150427
PubChem Substance ID724398
InChIInChI=1S/C14H9FN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
Synonym 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(4-Fluorophenyl)-2-sulfan
Canonical SMILESO=C1N(C2=CC=C(F)C=C2)C(NC3=CC=CC=C13)=S
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分类

  • {KO} Misc
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
3

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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