3-(1,1-dioxo-1lambda6,4-thiazinan-4-yl)-3-(4-methoxyphenyl)propanoic acid

CAS N/A MFCD03012783

化学结构图

N/A
SMILES: COC1C=CC(=CC=1)C(CC(O)=O)N1CCS(=O)(=O)CC1

化学属性

Mol. FormulaC14H19NO5S
Mol. Weight313.37
Melting Point176-178°

别名和识别编码

Chemical Name3-(1,1-dioxo-1lambda6,4-thiazinan-4-yl)-3-(4-methoxyphenyl)propanoic acid
Alfabeta NameDIOXOLAMBDA~THIAZINANYLMETHOXYPHENYLPROPANOICACID ~311164434(())---------,,
MDL NumberMFCD03012783
Synonym 3-(1,1-dioxo-1lambda6,4-thiazinan-4-yl)-3-(4-methoxyphenyl)propanoic acid
PubChem Substance ID329790981

分类

  • {KO} CarboxylicAcids
  • {SNA} Building Blocks, C11 to C20+, Chemical Synthesis, Heterocyclic Building Blocks, Morpholines/Thiomorpholines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Hazard statements
  • H301 Toxic if swallowed 吞食有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
5
H-bond Donors
1
LogP
6.288010000000001e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Morpholines/Thiomorpholines 吗啉/硫吗啉

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