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192563-92-1 | Acetamide, N-[1-[(octadecyloxy)methyl]-3-(2H-tetrazol-5-yl)propyl]-
CAS No: 192563-92-1 Catalog No: AG002G2L MDL No:
Product Description
Catalog Number:
AG002G2L
Chemical Name:
Acetamide, N-[1-[(octadecyloxy)methyl]-3-(2H-tetrazol-5-yl)propyl]-
CAS Number:
192563-92-1
Molecular Formula:
C25H49N5O2
Molecular Weight:
451.6889
IUPAC Name:
N-[1-octadecoxy-4-(2H-tetrazol-5-yl)butan-2-yl]acetamide
InChI:
InChI=1S/C25H49N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-22-24(26-23(2)31)19-20-25-27-29-30-28-25/h24H,3-22H2,1-2H3,(H,26,31)(H,27,28,29,30)
InChI Key:
FRBLQYPFUNBSEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(NC(=O)C)CCc1n[nH]nn1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.389g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
451.7g/mol
Monoisotopic Mass:
451.389g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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