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Home > Imidazoles > 83408-88-2
83408-88-2 | 2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)-N-(2-METHOXYPHENYL)ACETAMIDE
CAS No: 83408-88-2 Catalog No: AG004RTM MDL No:
Product Description
Catalog Number:
AG004RTM
Chemical Name:
2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)-N-(2-METHOXYPHENYL)ACETAMIDE
CAS Number:
83408-88-2
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C16H15N3O2S/c1-21-14-9-5-4-8-13(14)17-15(20)10-22-16-18-11-6-2-3-7-12(11)19-16/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChI Key:
UCCAGDLBQHYKMU-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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