28173-79-7
3,3'-METHYLENEDIOXYBIS(6-(PHENYLSULFINYL)ETHOXY)BENZAMIDE
Name3,3'-METHYLENEDIOXYBIS(6-(PHENYLSULFINYL)ETHOXY)BENZAMIDE
1Identification
【Name】
3,3'-METHYLENEDIOXYBIS(6-(PHENYLSULFINYL)ETHOXY)BENZAMIDE
【CAS】
【MDL】
MFCD01743922
【English Synonyms】
【Formula】
C31 H30 N2 O8 S2
【MolWeight】
622.716
【Inchi】
InChI=1S/C31H30N2O8S2/c32-30(34)26-19-22(11-13-28(26)38-15-17-42(36)24-7-3-1-4-8-24)40-21-41-23-12-14-29(27(20-23)31(33)35)39-16-18-43(37)25-9-5-2-6-10-25/h1-14,19-20H,15-18,21H2,(H2,32,34)(H2,33,35)
【InChIKey】
InChIKey=GQRZELVDIMQGRL-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)S(=O)CCOc2ccc(cc2C(=O)N)OCOc3ccc(c(c3)C(=O)N)OCCS(=O)c4ccccc4
【MOL File】
3,3'-METHYLENEDIOXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-METHYLENEDIOXYBIS(6-(PHENYLSULFINYL)ETHOXY)BENZAMIDE.cml