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Home > Imidazoles > 1803583-39-2
1803583-39-2 | N-(quinolin-3-yl)-4-(2-sulfanyl-1H-imidazol-1-yl)benzamide
CAS No: 1803583-39-2 Catalog No: AG01BHQZ MDL No:MFCD28145376
Product Description
Catalog Number:
AG01BHQZ
Chemical Name:
N-(quinolin-3-yl)-4-(2-sulfanyl-1H-imidazol-1-yl)benzamide
CAS Number:
1803583-39-2
Molecular Formula:
C19H14N4OS
Molecular Weight:
346.4057
MDL Number:
MFCD28145376
IUPAC Name:
N-quinolin-3-yl-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C19H14N4OS/c24-18(22-15-11-14-3-1-2-4-17(14)21-12-15)13-5-7-16(8-6-13)23-10-9-20-19(23)25/h1-12H,(H,20,25)(H,22,24)
InChI Key:
KIGDWCLLKWRVJH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1ccnc1S)Nc1cnc2c(c1)cccc2
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.408g/mol
Monoisotopic Mass:
346.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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