5597-18-2
1-[(4-BROMOPHENOXY)METHYL]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-ISOQUINOLINE
Name
1-[(4-BROMOPHENOXY)METHYL]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-ISOQUINOLINE
Formula
C18 H20 Br N O3
MolWeight
378.264
1Identification
【Name】
1-[(4-BROMOPHENOXY)METHYL]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-ISOQUINOLINE
【CAS】
【MDL】
MFCD20257535
【English Synonyms】
【Formula】
C18 H20 Br N O3
【MolWeight】
378.264
【Inchi】
InChI=1S/C18H20BrNO3/c1-21-17-9-12-7-8-20-16(15(12)10-18(17)22-2)11-23-14-5-3-13(19)4-6-14/h3-6,9-10,16,20H,7-8,11H2,1-2H3
【InChIKey】
InChIKey=ZNWDWGQMGCJZCD-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(NCC2)COc3ccc(cc3)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(4-BROMOPHENOXY)METHYL]-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-ISOQUINOLINE.cml
Quick Release
1-[(5-OXO-1,4-DIAZEPAN-1-YL)CARBONYL]CYCLOBUTANE-1-CARBOXYLIC ACID
4-(5-OXO-1,4-DIAZEPAN-1-YL)PYRIDINE-2-CARBOXYLIC ACID
3-FLUORO-2-(5-OXO-1,4-DIAZEPAN-1-YL)BENZOIC ACID
N-CYCLOHEXYL-5-OXO-1,4-DIAZEPANE-1-CARBOXIMIDAMIDE
4-OXO-4-([(5-OXO-1,4-DIAZEPAN-1-YL)CARBONYL]AMINO)BUTANOIC ACID
FCHGROUP FCH664462
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FCHGROUP FCH664462