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89373-92-2 | 2-Propenamide, N-(5-methoxy-2-benzothiazolyl)-3-phenyl-, (E)-
CAS No: 89373-92-2 Catalog No: AG003WNM MDL No:
Product Description
Catalog Number:
AG003WNM
Chemical Name:
2-Propenamide, N-(5-methoxy-2-benzothiazolyl)-3-phenyl-, (E)-
CAS Number:
89373-92-2
Molecular Formula:
C17H14N2O2S
Molecular Weight:
310.3703
IUPAC Name:
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
InChI:
InChI=1S/C17H14N2O2S/c1-21-13-8-9-15-14(11-13)18-17(22-15)19-16(20)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
InChI Key:
VMLMYKOPPHWWRO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)NC(=O)/C=C/c1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.371g/mol
Monoisotopic Mass:
310.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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