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478047-45-9 | 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CAS No: 478047-45-9 Catalog No: AG00IU4U MDL No:MFCD02187105
Product Description
Catalog Number:
AG00IU4U
Chemical Name:
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CAS Number:
478047-45-9
Molecular Formula:
C19H14N2O2S2
Molecular Weight:
366.4567
MDL Number:
MFCD02187105
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C19H14N2O2S2/c1-12-17(25-18(20-12)13-7-3-2-4-8-13)15(22)11-24-19-21-14-9-5-6-10-16(14)23-19/h2-10H,11H2,1H3
InChI Key:
WBILINMDTPQLEW-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)CSc1nc2c(o1)cccc2
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.05g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.453g/mol
Monoisotopic Mass:
366.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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