154643-41-1
5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE
Name5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE
1Identification
【Name】
5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD00800593
【English Synonyms】
【Formula】
C21 H19 N3 O
【MolWeight】
329.401
【Inchi】
InChI=1S/C21H19N3O/c1-25-21-23(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)22-24(21)19-15-9-4-10-16-19/h2-16,21H,1H3
【InChIKey】
InChIKey=ZDSYEVZBXOPWNL-UHFFFAOYSA-N
【SMILES】
COC1N(C(=NN1c2ccccc2)c3ccccc3)c4ccccc4
【MOL File】
5-METHOXY-1,3,4-TRIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHOXY-1,3,4-TRIPHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE.cml