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156090-18-5 | Indazolo[4,3-gh]isoquinolin-6(2H)-one, 5-[[2-(dimethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-
CAS No: 156090-18-5 Catalog No: AG001OIB MDL No:
Product Description
Catalog Number:
AG001OIB
Chemical Name:
Indazolo[4,3-gh]isoquinolin-6(2H)-one, 5-[[2-(dimethylamino)ethyl]amino]-2-[2-[(2-hydroxyethyl)amino]ethyl]-
CAS Number:
156090-18-5
Molecular Formula:
C21H26N6O2
Molecular Weight:
394.4701
IUPAC Name:
10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
InChI:
InChI=1S/C21H26N6O2/c1-26(2)10-8-24-16-3-4-17-19-18(16)21(29)14-5-6-23-13-15(14)20(19)25-27(17)11-7-22-9-12-28/h3-6,13,22,24,28H,7-12H2,1-2H3
InChI Key:
ZHAKYGFJVGCOAE-UHFFFAOYSA-N
SMILES:
OCCNCCn1nc2c3c1ccc(c3c(=O)c1c2cncc1)NCCN(C)C
UNII:
R40RXC296C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.212g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
394.479g/mol
Monoisotopic Mass:
394.212g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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