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126803-73-4 | [1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
CAS No: 126803-73-4 Catalog No: AG000T98 MDL No:
Product Description
Catalog Number:
AG000T98
Chemical Name:
[1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-
CAS Number:
126803-73-4
Molecular Formula:
C14H13Cl2N5O4S
Molecular Weight:
418.2551
IUPAC Name:
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
InChI:
InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)13-17-9-6-10(24-2)18-14(25-3)21(9)19-13/h4-6,20H,1-3H3
InChI Key:
YCAVTTFYAOQYCZ-UHFFFAOYSA-N
SMILES:
COc1nc(OC)n2c(c1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.007g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.249g/mol
Monoisotopic Mass:
417.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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