799831-42-8
6-(3,4-DIMETHOXYPHENYL)-7-(2-FLUOROPHENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Name6-(3,4-DIMETHOXYPHENYL)-7-(2-FLUOROPHENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
1Identification
【Name】
6-(3,4-DIMETHOXYPHENYL)-7-(2-FLUOROPHENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
【CAS】
【MDL】
MFCD03684324
【English Synonyms】
【Formula】
C26 H21 F N4 O3
【MolWeight】
456.475
【Inchi】
InChI=1S/C26H21FN4O3/c1-32-20-12-11-15(13-21(20)33-2)25-22-23(17-8-4-6-10-19(17)34-25)30-26-28-14-29-31(26)24(22)16-7-3-5-9-18(16)27/h3-14,24-25H,1-2H3,(H,28,29,30)
【InChIKey】
InChIKey=VWMUIOJZSBPURC-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)C2C3=C(c4ccccc4O2)Nc5ncnn5C3c6ccccc6F
【MOL File】
6-(3,4-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(3,4-DIMETHOXYPHENYL)-7-(2-FLUOROPHENYL)-7,12-DIHYDRO-6H-CHROMENO[4,3-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE.cml