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82559-44-2 | Benzamide, N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxy-
CAS No: 82559-44-2 Catalog No: AG00572M MDL No:
Product Description
Catalog Number:
AG00572M
Chemical Name:
Benzamide, N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxy-
CAS Number:
82559-44-2
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
IUPAC Name:
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
InChI:
InChI=1S/C17H21N3O3S/c1-22-12-9-6-10-13(23-2)14(12)15(21)18-17-20-19-16(24-17)11-7-4-3-5-8-11/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,20,21)
InChI Key:
OOJGXWCWDMHSPL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)Nc1nnc(s1)C1CCCCC1)OC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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