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73097-95-7 | Benzamide,N-[5-[[4-chloro-6-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
CAS No: 73097-95-7 Catalog No: AG005CIH MDL No:
Product Description
Catalog Number:
AG005CIH
Chemical Name:
Benzamide,N-[5-[[4-chloro-6-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]-
CAS Number:
73097-95-7
Molecular Formula:
C38H21ClN6O5
Molecular Weight:
677.0635
IUPAC Name:
N-[5-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
InChI:
InChI=1S/C38H21ClN6O5/c39-36-43-37(41-26-17-6-13-22-28(26)32(47)21-12-5-4-11-20(21)31(22)46)45-38(44-36)42-27-18-8-15-24-30(27)34(49)23-14-7-16-25(29(23)33(24)48)40-35(50)19-9-2-1-3-10-19/h1-18H,(H,40,50)(H2,41,42,43,44,45)
InChI Key:
KLZXJKYQYQZHKA-UHFFFAOYSA-N
SMILES:
Clc1nc(nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1cccc(c1C2=O)NC(=O)c1ccccc1
EC Number:
277-283-4
Properties
Complexity:
1340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.126g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
677.073g/mol
Monoisotopic Mass:
676.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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