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103481-26-1 | 1H-Benzimidazole-5-carboxamide, N-heptyl-2,3-dihydro-2-thioxo-
CAS No: 103481-26-1 Catalog No: AG007GI6 MDL No:
Product Description
Catalog Number:
AG007GI6
Chemical Name:
1H-Benzimidazole-5-carboxamide, N-heptyl-2,3-dihydro-2-thioxo-
CAS Number:
103481-26-1
Molecular Formula:
C15H21N3OS
Molecular Weight:
291.4117
IUPAC Name:
N-heptyl-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
InChI:
InChI=1S/C15H21N3OS/c1-2-3-4-5-6-9-16-14(19)11-7-8-12-13(10-11)18-15(20)17-12/h7-8,10H,2-6,9H2,1H3,(H,16,19)(H2,17,18,20)
InChI Key:
IMMAMOCEPNJLIS-UHFFFAOYSA-N
SMILES:
CCCCCCCNC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
348
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:
7
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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