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Home > Indoles and Oxindole > 144298-94-2
144298-94-2 | 1H-Isoindole-4-carboxamide, 2,3-dihydro-N,2-dioctadecyl-1,3-dioxo-
CAS No: 144298-94-2 Catalog No: AG001JA8 MDL No:
Product Description
Catalog Number:
AG001JA8
Chemical Name:
1H-Isoindole-4-carboxamide, 2,3-dihydro-N,2-dioctadecyl-1,3-dioxo-
CAS Number:
144298-94-2
Molecular Formula:
C45H78N2O3
Molecular Weight:
695.1124
IUPAC Name:
N,2-dioctadecyl-1,3-dioxoisoindole-4-carboxamide
InChI:
InChI=1S/C45H78N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-43(48)40-36-35-37-41-42(40)45(50)47(44(41)49)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37H,3-34,38-39H2,1-2H3,(H,46,48)
InChI Key:
MMWZTYGAXSHANQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)c1cccc2c1C(=O)N(C2=O)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
844
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.601g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
695.13g/mol
Monoisotopic Mass:
694.601g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.8
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