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128-89-2 | Benzamide, N-[4-[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
CAS No: 128-89-2 Catalog No: AG000XOC MDL No:
Product Description
Catalog Number:
AG000XOC
Chemical Name:
Benzamide, N-[4-[[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
CAS Number:
128-89-2
Molecular Formula:
C42H25N3O6
Molecular Weight:
667.6644
IUPAC Name:
N-[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide
InChI:
InChI=1S/C42H25N3O6/c46-37-25-15-7-8-16-26(25)38(47)36-32(45-42(51)24-13-5-2-6-14-24)22-21-31(35(36)37)43-29-19-9-17-27-33(29)39(48)28-18-10-20-30(34(28)40(27)49)44-41(50)23-11-3-1-4-12-23/h1-22,43H,(H,44,50)(H,45,51)
InChI Key:
HZCNWAWXJDZEHZ-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1c(ccc2)NC(=O)c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1
EC Number:
204-916-3
UNII:
J0WYD0DY45
NSC Number:
23127
Properties
Complexity:
1380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
667.174g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
667.677g/mol
Monoisotopic Mass:
667.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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