1056056-11-1
3-[2-(2-fluoro-4-methoxy-phenyl)-ethyl]-7-isothiocyanato-3H-quinazolin-4-one
Name3-[2-(2-fluoro-4-methoxy-phenyl)-ethyl]-7-isothiocyanato-3H-quinazolin-4-one
1Identification
【Name】
3-[2-(2-fluoro-4-methoxy-phenyl)-ethyl]-7-isothiocyanato-3H-quinazolin-4-one
【CAS】
【MDL】
【English Synonyms】
【Formula】
C18H14FN3O2S
【MolWeight】
355.386
【Inchi】
InChI=1S/C18H14FN3O2S/c1-24-14-4-2-12(16(19)9-14)6-7-22-10-20-17-8-13(21-11-25)3-5-15(17)18(22)23/h2-5,8-10H,6-7H2,1H3
【InChIKey】
InChIKey=ZSDQBDWWGGBJFY-UHFFFAOYSA-N
【SMILES】
FC1=C(C=CC(=C1)OC)CCN1C=NC2=CC(=CC=C2C1=O)N=C=S
【MOL File】
3-[2-(2-fluoro-4-met….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
3-[2-(2-fluoro-4-methoxy-phenyl)-ethyl]-7-isothiocyanato-3H-quinazolin-4-one.cml