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839677-81-5 | Octadecanamide, N-(2,3-dihydro-2-thioxo-6-benzoxazolyl)-
CAS No: 839677-81-5 Catalog No: AG0052RZ MDL No:
Product Description
Catalog Number:
AG0052RZ
Chemical Name:
Octadecanamide, N-(2,3-dihydro-2-thioxo-6-benzoxazolyl)-
CAS Number:
839677-81-5
Molecular Formula:
C25H40N2O2S
Molecular Weight:
432.6623
IUPAC Name:
N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)octadecanamide
InChI:
InChI=1S/C25H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)26-21-18-19-22-23(20-21)29-25(30)27-22/h18-20H,2-17H2,1H3,(H,26,28)(H,27,30)
InChI Key:
DOXQFNLYBUKQOE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)oc(=S)[nH]2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.281g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.667g/mol
Monoisotopic Mass:
432.281g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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