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Home > Imidazoles > 478042-06-7
478042-06-7 | 1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-[(2-methylphenyl)sulfanyl]ethan-1-one
CAS No: 478042-06-7 Catalog No: AG00IOTX MDL No:MFCD02186777
Product Description
Catalog Number:
AG00IOTX
Chemical Name:
1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}-2-[(2-methylphenyl)sulfanyl]ethan-1-one
CAS Number:
478042-06-7
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
MDL Number:
MFCD02186777
IUPAC Name:
1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-(2-methylphenyl)sulfanylethanone
InChI:
InChI=1S/C18H18N2OS/c1-12-8-9-20-17(10-12)19-14(3)18(20)15(21)11-22-16-7-5-4-6-13(16)2/h4-10H,11H2,1-3H3
InChI Key:
VHIVBFLFVBVUMC-UHFFFAOYSA-N
SMILES:
Cc1ccn2c(c1)nc(c2C(=O)CSc1ccccc1C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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