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120164-66-1 | Benzamide, N-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
CAS No: 120164-66-1 Catalog No: AG000QFY MDL No:
Product Description
Catalog Number:
AG000QFY
Chemical Name:
Benzamide, N-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-
CAS Number:
120164-66-1
Molecular Formula:
C17H16N2O2S
Molecular Weight:
312.3861
IUPAC Name:
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)benzamide
InChI:
InChI=1S/C17H16N2O2S/c1-9-10(2)14(20)11(3)15-13(9)18-17(22-15)19-16(21)12-7-5-4-6-8-12/h4-8,20H,1-3H3,(H,18,19,21)
InChI Key:
OUCUOBHNOBRJKZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1nc2c(s1)c(C)c(c(c2C)C)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.387g/mol
Monoisotopic Mass:
312.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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