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1043705-09-4 | 2-[2-(4-Methyl-benzoyliMino)- benzothiazol-3-yl]-butyric acid
CAS No: 1043705-09-4 Catalog No: AG0094I2 MDL No:
Product Description
Catalog Number:
AG0094I2
Chemical Name:
2-[2-(4-Methyl-benzoyliMino)-
benzothiazol-3-yl]-butyric acid
CAS Number:
1043705-09-4
IUPAC Name:
2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]butanoic acid
InChI:
InChI=1S/C19H18N2O3S/c1-3-14(18(23)24)21-15-6-4-5-7-16(15)25-19(21)20-17(22)13-10-8-12(2)9-11-13/h4-11,14H,3H2,1-2H3,(H,23,24)
InChI Key:
MEOQAXDPNCPSFW-UHFFFAOYSA-N
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.104g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.424g/mol
Monoisotopic Mass:
354.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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