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805323-98-2 | Octadecanamide, N-2-benzoxazolyl-
CAS No: 805323-98-2 Catalog No: AG008MBB MDL No:
Product Description
Catalog Number:
AG008MBB
Chemical Name:
Octadecanamide, N-2-benzoxazolyl-
CAS Number:
805323-98-2
Molecular Formula:
C25H40N2O2
Molecular Weight:
400.5973
IUPAC Name:
N-(1,3-benzoxazol-2-yl)octadecanamide
InChI:
InChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(28)27-25-26-22-19-17-18-20-23(22)29-25/h17-20H,2-16,21H2,1H3,(H,26,27,28)
InChI Key:
FFTZGPHBNLZUCD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Nc1nc2c(o1)cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.309g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.607g/mol
Monoisotopic Mass:
400.309g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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