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83757-53-3 | Naphth[2,3-c]acridine-5,8,14(13H)-trione,10-bromo-6-[[4-chloro-6-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-
CAS No: 83757-53-3 Catalog No: AG004SQS MDL No:
Product Description
Catalog Number:
AG004SQS
Chemical Name:
Naphth[2,3-c]acridine-5,8,14(13H)-trione,10-bromo-6-[[4-chloro-6-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-
CAS Number:
83757-53-3
Molecular Formula:
C38H18BrClN6O5
Molecular Weight:
753.9437
IUPAC Name:
10-bromo-6-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-13H-naphtho[2,3-c]acridine-5,8,14-trione
InChI:
InChI=1S/C38H18BrClN6O5/c39-16-12-13-24-22(14-16)32(48)23-15-26(28-29(30(23)41-24)35(51)20-9-4-3-8-19(20)34(28)50)43-38-45-36(40)44-37(46-38)42-25-11-5-10-21-27(25)33(49)18-7-2-1-6-17(18)31(21)47/h1-15H,(H,41,48)(H2,42,43,44,45,46)
InChI Key:
WWOLYFUZLUSGFY-UHFFFAOYSA-N
SMILES:
Clc1nc(nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cc2c(c3c1C(=O)c1ccccc1C3=O)[nH]c1c(c2=O)cc(cc1)Br
EC Number:
280-691-5
Properties
Complexity:
1450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
752.021g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
753.953g/mol
Monoisotopic Mass:
752.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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