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24734-71-2

24734-71-2 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-

CAS No: 24734-71-2 Catalog No: AG002PA1 MDL No:MFCD23102157

Product Description

Catalog Number:
AG002PA1
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
24734-71-2
Molecular Formula:
C22H29NO5
Molecular Weight:
387.4694
MDL Number:
MFCD23102157
IUPAC Name:
6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C22H29NO5/c1-23-8-7-15-12-18(24-2)19(25-3)13-16(15)17(23)9-14-10-20(26-4)22(28-6)21(11-14)27-5/h10-13,17H,7-9H2,1-6H3
InChI Key:
ALQIPWOCCJXSKZ-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(C(c2cc1OC)Cc1cc(OC)c(c(c1)OC)OC)C

Properties

Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.205g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.476g/mol
Monoisotopic Mass:
387.205g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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