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85643-65-8 | 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 9-methoxy-5-(9-methoxy-7-methyl-7H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-yl)-
CAS No: 85643-65-8 Catalog No: AG004Q71 MDL No:
Product Description
Catalog Number:
AG004Q71
Chemical Name:
8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 9-methoxy-5-(9-methoxy-7-methyl-7H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-yl)-
CAS Number:
85643-65-8
Molecular Formula:
C37H24N2O7
Molecular Weight:
608.5957
IUPAC Name:
15-methoxy-9-(15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,12,14(19),15,17-octaen-13-yl)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
InChI:
InChI=1S/C37H24N2O7/c1-39-11-10-17-12-24-36(45-15-43-24)31-18-6-4-8-22(41-2)27(18)30(34(39)26(17)31)21-14-38-33-29-20(21)13-25-37(46-16-44-25)32(29)19-7-5-9-23(42-3)28(19)35(33)40/h4-14H,15-16H2,1-3H3
InChI Key:
ATAOQRUXYTVQTQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1ncc(c3c1c2c1OCOc1c3)c1c2c(OC)cccc2c2c3c1n(C)ccc3cc1c2OCO1
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.158g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
608.606g/mol
Monoisotopic Mass:
608.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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