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805323-86-8 | Octadecanamide, N-(2-mercapto-5-oxo-2-oxazolidinyl)-
CAS No: 805323-86-8 Catalog No: AG00593X MDL No:
Product Description
Catalog Number:
AG00593X
Chemical Name:
Octadecanamide, N-(2-mercapto-5-oxo-2-oxazolidinyl)-
CAS Number:
805323-86-8
Molecular Formula:
C21H40N2O3S
Molecular Weight:
400.6189
IUPAC Name:
N-(5-oxo-2-sulfanyl-1,3-oxazolidin-2-yl)octadecanamide
InChI:
InChI=1S/C21H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)23-21(27)22-18-20(25)26-21/h22,27H,2-18H2,1H3,(H,23,24)
InChI Key:
VJCRXQMWBHSXDW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NC1(S)NCC(=O)O1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.276g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.622g/mol
Monoisotopic Mass:
400.276g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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