54340-61-3
BROVANEXINE
Name
BROVANEXINE
Formula
C24 H28 Br2 N2 O4
MolWeight
568.303
1Identification
【Name】
BROVANEXINE
【CAS】
【MDL】
MFCD00869010
【English Synonyms】
【Formula】
C24 H28 Br2 N2 O4
【MolWeight】
568.303
【Inchi】
InChI=1S/C24H28Br2N2O4/c1-15(29)32-21-10-9-16(12-22(21)31-3)24(30)27-23-17(11-18(25)13-20(23)26)14-28(2)19-7-5-4-6-8-19/h9-13,19H,4-8,14H2,1-3H3,(H,27,30)
【InChIKey】
InChIKey=DQTRREPKGJIABH-UHFFFAOYSA-N
【SMILES】
CC(=O)Oc1ccc(cc1OC)C(=O)Nc2c(cc(cc2Br)Br)CN(C)C3CCCCC3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BROVANEXINE.cml
Quick Release
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