921613-07-2
ALMAC B50530
Name
ALMAC B50530
Formula
C18H22BrN3O2
MolWeight
392.295
1Identification
【Name】
ALMAC B50530
【CAS】
【MDL】
MFCD09065055
【English Synonyms】
【Formula】
C18H22BrN3O2
【MolWeight】
392.295
【Inchi】
InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-8-6-12(7-9-22)16-11-20-14-5-4-13(19)10-15(14)21-16/h4-5,10-12H,6-9H2,1-3H3
【InChIKey】
InChIKey=ILDXXEQTBKZTIL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)C1=NC2=CC(Br)=CC=C2N=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.7359
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALMAC B50530.cml
Quick Release
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