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33251-22-8 | 2,9-bis(p-tolyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2h,9h)-tetrone
CAS No: 33251-22-8 Catalog No: AG007GJC MDL No:
Product Description
Catalog Number:
AG007GJC
Chemical Name:
2,9-bis(p-tolyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2h,9h)-tetrone
CAS Number:
33251-22-8
Molecular Formula:
C38H22N2O4
Molecular Weight:
570.5923
IUPAC Name:
ethyl N-[2,5-dichloro-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
InChI:
InChI=1S/C12H12Cl2N2O6/c1-3-21-11(19)15-7-5(13)10(18)8(6(14)9(7)17)16-12(20)22-4-2/h3-4H2,1-2H3,(H,15,19)(H,16,20)
InChI Key:
LMNZJHSIDYBWNO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)C
NSC Number:
191295
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.136g/mol
Monoisotopic Mass:
350.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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