200,000+ products from a single source!
sales@angenechem.com
20226-11-3 | 1,3-Dioxolo[4,5-g]isoquinoline, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methyl-
CAS No: 20226-11-3 Catalog No: AG00285F MDL No:
Product Description
Catalog Number:
AG00285F
Chemical Name:
1,3-Dioxolo[4,5-g]isoquinoline, 5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methyl-
CAS Number:
20226-11-3
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
IUPAC Name:
5-[2-(1,3-benzodioxol-5-yl)ethyl]-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C20H17NO4/c1-12-6-14-8-19-20(25-11-24-19)9-15(14)16(21-12)4-2-13-3-5-17-18(7-13)23-10-22-17/h3,5-9H,2,4,10-11H2,1H3
InChI Key:
BMDCQPXVYLJDJJ-UHFFFAOYSA-N
SMILES:
Cc1nc(CCc2ccc3c(c2)OCO3)c2c(c1)cc1c(c2)OCO1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.