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140926-46-1 | 3-Pyridazineacetic acid, 1-[(5,7-difluoro-2-benzothiazolyl)methyl]-1,6-dihydro-4,5-dimethyl-6-oxo-
CAS No: 140926-46-1 Catalog No: AG001FMX MDL No:
Product Description
Catalog Number:
AG001FMX
Chemical Name:
3-Pyridazineacetic acid, 1-[(5,7-difluoro-2-benzothiazolyl)methyl]-1,6-dihydro-4,5-dimethyl-6-oxo-
CAS Number:
140926-46-1
Molecular Formula:
C16H13F2N3O3S
Molecular Weight:
365.3545
IUPAC Name:
2-[1-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4,5-dimethyl-6-oxopyridazin-3-yl]acetic acid
InChI:
InChI=1S/C16H13F2N3O3S/c1-7-8(2)16(24)21(20-11(7)5-14(22)23)6-13-19-12-4-9(17)3-10(18)15(12)25-13/h3-4H,5-6H2,1-2H3,(H,22,23)
InChI Key:
LKZLBRMKMWLEMI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nn(Cc2nc3c(s2)c(F)cc(c3)F)c(=O)c(c1C)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.065g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.355g/mol
Monoisotopic Mass:
365.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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