912770-72-0
1-([2-(2H-1,3-BENZODIOXOL-5-YL)IMIDAZO[1,2-A]PYRIMIDIN-3-YL]METHYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-([2-(2H-1,3-BENZODIOXOL-5-YL)IMIDAZO[1,2-A]PYRIMIDIN-3-YL]METHYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-([2-(2H-1,3-BENZODIOXOL-5-YL)IMIDAZO[1,2-A]PYRIMIDIN-3-YL]METHYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06660451
【English Synonyms】
【Formula】
C20 H20 N4 O4
【MolWeight】
380.402
【Inchi】
InChI=1S/C20H20N4O4/c25-19(26)13-4-8-23(9-5-13)11-15-18(22-20-21-6-1-7-24(15)20)14-2-3-16-17(10-14)28-12-27-16/h1-3,6-7,10,13H,4-5,8-9,11-12H2,(H,25,26)
【InChIKey】
InChIKey=UWLWIBOFGVSEOV-UHFFFAOYSA-N
【SMILES】
c1cnc2nc(c(n2c1)CN3CCC(CC3)C(=O)O)c4ccc5c(c4)OCO5
【MOL File】
1-([2-(2H-1,3-BENZOD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-([2-(2H-1,3-BENZODIOXOL-5-YL)IMIDAZO[1,2-A]PYRIMIDIN-3-YL]METHYL)PIPERIDINE-4-CARBOXYLIC ACID.cml