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105445-01-0 | Hexanamide, N-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-2-ethyl-
CAS No: 105445-01-0 Catalog No: AG007WEZ MDL No:
Product Description
Catalog Number:
AG007WEZ
Chemical Name:
Hexanamide, N-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-2-ethyl-
CAS Number:
105445-01-0
Molecular Formula:
C15H21N3OS
Molecular Weight:
291.4117
IUPAC Name:
2-ethyl-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)hexanamide
InChI:
InChI=1S/C15H21N3OS/c1-3-5-6-10(4-2)14(19)16-11-7-8-12-13(9-11)18-15(20)17-12/h7-10H,3-6H2,1-2H3,(H,16,19)(H2,17,18,20)
InChI Key:
FDIHUFWYKQCZDV-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)Nc1ccc2c(c1)[nH]c(=S)[nH]2)CC
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.413g/mol
Monoisotopic Mass:
291.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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