200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 446053-28-7
446053-28-7 | 2-[(6,7-Diethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1H-isoindole-1,3(2H)-dione
CAS No: 446053-28-7 Catalog No: AG00J9MQ MDL No:MFCD03308644
Product Description
Catalog Number:
AG00J9MQ
Chemical Name:
2-[(6,7-Diethoxy-3,4-dihydro-1-isoquinolinyl)methyl]-1H-isoindole-1,3(2H)-dione
CAS Number:
446053-28-7
Molecular Formula:
C22H22N2O4
Molecular Weight:
378.4211
MDL Number:
MFCD03308644
IUPAC Name:
2-[(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H22N2O4/c1-3-27-19-11-14-9-10-23-18(17(14)12-20(19)28-4-2)13-24-21(25)15-7-5-6-8-16(15)22(24)26/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChI Key:
HDYYLGGDCYDRRN-UHFFFAOYSA-N
SMILES:
CCOc1cc2c(cc1OCC)CCN=C2CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.158g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.428g/mol
Monoisotopic Mass:
378.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.