200,000+ products from a single source!
sales@angenechem.com
66235-11-8 | "2-(2-piperazin-1-ylethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"
CAS No: 66235-11-8 Catalog No: AG01FMPN MDL No:MFCD01166074
Product Description
Catalog Number:
AG01FMPN
Chemical Name:
"2-(2-piperazin-1-ylethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione"
CAS Number:
66235-11-8
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
MDL Number:
MFCD01166074
IUPAC Name:
2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C18H19N3O2/c22-17-14-5-1-3-13-4-2-6-15(16(13)14)18(23)21(17)12-11-20-9-7-19-8-10-20/h1-6,19H,7-12H2
InChI Key:
GVQODYIMYLMYSM-UHFFFAOYSA-N
SMILES:
O=c1n(CCN2CCNCC2)c(=O)c2c3c1cccc3ccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.