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95234-93-8 | Benzamide, 4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-N-octyl-
CAS No: 95234-93-8 Catalog No: AG006OJ7 MDL No:
Product Description
Catalog Number:
AG006OJ7
Chemical Name:
Benzamide, 4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-N-octyl-
CAS Number:
95234-93-8
Molecular Formula:
C18H25N3OS
Molecular Weight:
331.4756
IUPAC Name:
N-octyl-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C18H25N3OS/c1-2-3-4-5-6-7-12-19-17(22)15-8-10-16(11-9-15)21-14-13-20-18(21)23/h8-11,13-14H,2-7,12H2,1H3,(H,19,22)(H,20,23)
InChI Key:
CZIMMNZVYZYCDL-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)c1ccc(cc1)n1cc[nH]c1=S
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.172g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.478g/mol
Monoisotopic Mass:
331.172g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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