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Home > Pyridines > 946386-56-7
946386-56-7 | N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CAS No: 946386-56-7 Catalog No: AG00IV4M MDL No:MFCD00169958
Product Description
Catalog Number:
AG00IV4M
Chemical Name:
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CAS Number:
946386-56-7
Molecular Formula:
C21H19N3O3S
Molecular Weight:
393.4589
MDL Number:
MFCD00169958
IUPAC Name:
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxypyridine-3-carboxamide
InChI:
InChI=1S/C21H19N3O3S/c1-21(2)11-15-17(16(25)12-21)28-20(23-15)24-18(26)14-9-6-10-22-19(14)27-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,23,24,26)
InChI Key:
IHFNEDSIXIPMSB-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Oc1ccccc1)Nc1nc2c(s1)C(=O)CC(C2)(C)C
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.461g/mol
Monoisotopic Mass:
393.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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