154185-82-7
1H-PYRAZOLE-1-CARBOXALDEHYDE, 4,5-DIHYDRO-5-(3,4-DIMETHOXYPHENYL)-3-(2-(3,4-DIMETHOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL)-
Name1H-PYRAZOLE-1-CARBOXALDEHYDE, 4,5-DIHYDRO-5-(3,4-DIMETHOXYPHENYL)-3-(2-(3,4-DIMETHOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL)-
1Identification
【Name】
1H-PYRAZOLE-1-CARBOXALDEHYDE, 4,5-DIHYDRO-5-(3,4-DIMETHOXYPHENYL)-3-(2-(3,4-DIMETHOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL)-
【CAS】
【MDL】
MFCD01758033
【English Synonyms】
【Formula】
C29 H26 N2 O7
【MolWeight】
514.531
【Inchi】
InChI=1S/C29H26N2O7/c1-34-25-9-6-18(12-28(25)36-3)22-14-21(30-31(22)16-32)17-5-8-24-20(11-17)23(33)15-27(38-24)19-7-10-26(35-2)29(13-19)37-4/h5-13,15-16,22H,14H2,1-4H3
【InChIKey】
InChIKey=JSHRBVHKJFJSMK-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)c2cc(=O)c3cc(ccc3o2)C4=NN(C(C4)c5ccc(c(c5)OC)OC)C=O
【MOL File】
1H-PYRAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-1-CARBOXALDEHYDE, 4,5-DIHYDRO-5-(3,4-DIMETHOXYPHENYL)-3-(2-(3,4-DIMETHOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL)-.cml