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144740-53-4 | 3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester
CAS No: 144740-53-4 Catalog No: AG001K25 MDL No:
Product Description
Catalog Number:
AG001K25
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-6-(trifluoromethyl)-, methyl ester
CAS Number:
144740-53-4
Molecular Formula:
C15H14F3N5O7S
Molecular Weight:
465.3612
IUPAC Name:
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18/h4-6H,1-3H3,(H2,20,21,22,23,25)
InChI Key:
DTVOKYWXACGVGO-UHFFFAOYSA-N
SMILES:
COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F
UNII:
8D7IY4M255
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.057g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
465.36g/mol
Monoisotopic Mass:
465.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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