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1255386-16-3 | 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-
CAS No: 1255386-16-3 Catalog No: AG000NTP MDL No:
Product Description
Catalog Number:
AG000NTP
Chemical Name:
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-
CAS Number:
1255386-16-3
Molecular Formula:
C21H12ClD3F4N4O3
Molecular Weight:
485.8339
IUPAC Name:
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
InChI:
InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)/i1D3
InChI Key:
FNHKPVJBJVTLMP-FIBGUPNXSA-N
SMILES:
O=C(Nc1ccc(cc1F)Oc1ccnc(c1)C(=O)NC([2H])([2H])[2H])Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.096g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
3
Molecular Weight:
485.838g/mol
Monoisotopic Mass:
485.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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