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121888-69-5 | 2-Propenoic acid, 2-methyl-, 1,1'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene-2,1-ethanediyl)] ester
CAS No: 121888-69-5 Catalog No: AG0016CG MDL No:
Product Description
Catalog Number:
AG0016CG
Chemical Name:
2-Propenoic acid, 2-methyl-, 1,1'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene-2,1-ethanediyl)] ester
CAS Number:
121888-69-5
Molecular Formula:
C38H34N2O6
Molecular Weight:
614.6864
IUPAC Name:
2-[4-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]-9,10-dioxoanthracen-1-yl]amino]phenyl]ethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C38H34N2O6/c1-23(2)37(43)45-21-19-25-9-13-27(14-10-25)39-31-17-18-32(34-33(31)35(41)29-7-5-6-8-30(29)36(34)42)40-28-15-11-26(12-16-28)20-22-46-38(44)24(3)4/h5-18,39-40H,1,3,19-22H2,2,4H3
InChI Key:
IEPUABWMJBVAAN-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)CCOC(=O)C(=C)C
UNII:
20225PWJ2H
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.242g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
614.698g/mol
Monoisotopic Mass:
614.242g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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