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2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0?,¹?.0¹?,¹?]heptadeca-1(16),2,4,10-tetraen-12-ol hydrobromide

2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0?,¹?.0¹?,¹?]heptadeca-1(16),2,4,10-tetraen-12-ol hydrobromide

CAS: 69353-21-5

Formula: C17H22BrNO3

SMILES: Br.COC1=CC=C2CN(C)CCC3=CC(O)CC4OC1=C2C34

IUPAC: 2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0?,¹?.0¹?,¹?]heptadeca-1(16),2,4,10-tetraen-12-ol hydrobromide

InChI: InChI=1/C17H21NO3.BrH/c1-18-6-5-10-7-12(19)8-14-15(10)16-11(9-18)3-4-13(20-2)17(16)21-14;/h3-4,7,12,14-15,19H,5-6,8-9H2,1-2H3;1H

Composition: C (55.44%), H (6.02%), Br (21.70%), N (3.80%), O (13.03%)

Molar Mass: 368.271

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 367.078307
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DKGIHQCMWKXHHR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.19
Topological Polar Surface Area 41.93
Polarizability 31.65
Ring Count 4
Rotatable Bond Count 1

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