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141364-78-5 | 1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl-
CAS No: 141364-78-5 Catalog No: AG001GBA MDL No:
Product Description
Catalog Number:
AG001GBA
Chemical Name:
1H-Pyrrole-2,5-dione, 3,3'-(1,16-hexadecanediyl)bis[4-methyl-
CAS Number:
141364-78-5
Molecular Formula:
C26H40N2O4
Molecular Weight:
444.6068
IUPAC Name:
3-methyl-4-[16-(4-methyl-2,5-dioxopyrrol-3-yl)hexadecyl]pyrrole-2,5-dione
InChI:
InChI=1S/C26H40N2O4/c1-19-21(25(31)27-23(19)29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-20(2)24(30)28-26(22)32/h3-18H2,1-2H3,(H,27,29,31)(H,28,30,32)
InChI Key:
AQSDEQUDDRQPQH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1CCCCCCCCCCCCCCCCC1=C(C)C(=O)NC1=O)C
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.299g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.616g/mol
Monoisotopic Mass:
444.299g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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