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85223-07-0 | 2-(5-CHLORO-2-METHOXYPHENYL)-N-[4-[[[4-[(9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL)AZO]-3-HYDROXY-2-NAPHTHYL]CARBONYL]AMINO]PHENYL]-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOLE-5-CARBOXAMIDE
CAS No: 85223-07-0 Catalog No: AG004M3V MDL No:
Product Description
Catalog Number:
AG004M3V
Chemical Name:
2-(5-CHLORO-2-METHOXYPHENYL)-N-[4-[[[4-[(9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL)AZO]-3-HYDROXY-2-NAPHTHYL]CARBONYL]AMINO]PHENYL]-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOLE-5-CARBOXAMIDE
CAS Number:
85223-07-0
Molecular Formula:
C47H28ClN5O8
Molecular Weight:
826.2069
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)-N-[4-[[4-[(9,10-dioxoanthracen-1-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-1,3-dioxoisoindole-5-carboxamide
InChI:
InChI=1S/C47H28ClN5O8/c1-61-38-20-14-26(48)23-37(38)53-46(59)32-19-13-25(22-34(32)47(53)60)44(57)49-27-15-17-28(18-16-27)50-45(58)35-21-24-7-2-3-8-29(24)40(43(35)56)52-51-36-12-6-11-33-39(36)42(55)31-10-5-4-9-30(31)41(33)54/h2-23,56H,1H3,(H,49,57)(H,50,58)
InChI Key:
PJACWBCCSMRVGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cccc2c1C(=O)c1c(C2=O)cccc1)Cl
EC Number:
286-360-1
Properties
Complexity:
1740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
825.163g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
826.218g/mol
Monoisotopic Mass:
825.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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