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2352-88-7 | Benzoic acid, 2-[[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]carbonyl]-
CAS No: 2352-88-7 Catalog No: AG002NKJ MDL No:
Product Description
Catalog Number:
AG002NKJ
Chemical Name:
Benzoic acid, 2-[[bis[2-[(1-oxooctadecyl)amino]ethyl]amino]carbonyl]-
CAS Number:
2352-88-7
Molecular Formula:
C48H85N3O5
Molecular Weight:
784.2056
IUPAC Name:
2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C48H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45(52)49-39-41-51(47(54)43-35-33-34-36-44(43)48(55)56)42-40-50-46(53)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32,37-42H2,1-2H3,(H,49,52)(H,50,53)(H,55,56)
InChI Key:
CJMFXGGZYSIPRT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)c1ccccc1C(=O)O)CCNC(=O)CCCCCCCCCCCCCCCCC
EC Number:
219-088-9
Properties
Complexity:
907
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
783.649g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
784.224g/mol
Monoisotopic Mass:
783.649g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.4
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