753485-39-1 ((4-Piperidinone,1-[[2-[2-(acetyloxy)ethyl]-2,3-dihydro-4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-8-yl]sulfonyl]-)

CAS号:
753485-39-1
英文名称:
4-Piperidinone,1-[[2-[2-(acetyloxy)ethyl]-2,3-dihydro-4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-8-yl]sulfonyl]-
分子式:
C21H21N3O7S
分子量:
459.47234416008

4-Piperidinone,1-[[2-[2-(acetyloxy)ethyl]-2,3-dihydro-4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-8-yl]sulfonyl]-(753485-39-1)名称与标识符

名称

英文别名:
4-Piperidinone,1-[[2-[2-(acetyloxy)ethyl]-2,3-dihydro-4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-8-yl]sulfonyl]-;1H-Pyrrolo[3,4-c]quinoline-1,3(2H)-dione, 2-[2-(acetyloxy)ethyl]-4-methyl-8-[(4-oxo-1-piperidinyl)sulfonyl]-;

标识符

InChIKey:
JVNQSZSPMQNJMI-UHFFFAOYSA-N
Inchi:
1S/C21H21N3O7S/c1-12-18-19(21(28)24(20(18)27)9-10-31-13(2)25)16-11-15(3-4-17(16)22-12)32(29,30)23-7-5-14(26)6-8-23/h3-4,11H,5-10H2,1-2H3
SMILES:
N1C2C(=CC(S(N3CCC(=O)CC3)(=O)=O)=CC=2)C2C(=O)N(CCOC(C)=O)C(=O)C=2C=1C

4-Piperidinone,1-[[2-[2-(acetyloxy)ethyl]-2,3-dihydro-4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-8-yl]sulfonyl]-(753485-39-1)物化性质

实验特性

  • PSA : 131.02
  • 沸点 : 690.6±65.0 °C(Predicted)
  • 酸度系数(pKa) : 1.87±0.20(Predicted)
  • 密度 : 1.472±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 459.11013