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101722-29-6 | Butanamide, 2-[2-(6-methoxy-2-benzothiazolyl)diazenyl]-3-oxo-N-phenyl-
CAS No: 101722-29-6 Catalog No: AG0005AZ MDL No:
Product Description
Catalog Number:
AG0005AZ
Chemical Name:
Butanamide, 2-[2-(6-methoxy-2-benzothiazolyl)diazenyl]-3-oxo-N-phenyl-
CAS Number:
101722-29-6
Molecular Formula:
C18H16N4O3S
Molecular Weight:
368.4096
IUPAC Name:
2-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-3-oxo-N-phenylbutanamide
InChI:
InChI=1S/C18H16N4O3S/c1-11(23)16(17(24)19-12-6-4-3-5-7-12)21-22-18-20-14-9-8-13(25-2)10-15(14)26-18/h3-10,16H,1-2H3,(H,19,24)
InChI Key:
MBNJNNMKUMHZQV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)N=NC(C(=O)Nc1ccccc1)C(=O)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.411g/mol
Monoisotopic Mass:
368.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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