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160380-35-8 | Benzothiazole, 2-[2-[4-(4-morpholinyl)phenyl]ethenyl]-
CAS No: 160380-35-8 Catalog No: AG001RW2 MDL No:
Product Description
Catalog Number:
AG001RW2
Chemical Name:
Benzothiazole, 2-[2-[4-(4-morpholinyl)phenyl]ethenyl]-
CAS Number:
160380-35-8
Molecular Formula:
C19H18N2OS
Molecular Weight:
322.4240
IUPAC Name:
4-[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]morpholine
InChI:
InChI=1S/C19H18N2OS/c1-2-4-18-17(3-1)20-19(23-18)10-7-15-5-8-16(9-6-15)21-11-13-22-14-12-21/h1-10H,11-14H2
InChI Key:
QNTNODUHWPAGCW-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1ccc(cc1)C=Cc1nc2c(s1)cccc2
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.426g/mol
Monoisotopic Mass:
322.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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