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503444-00-6 | 5(4H)-Isoxazolone, 4-(5-oxo-3-phenyl-2-thiazolidinylidene)-3-phenyl-
CAS No: 503444-00-6 Catalog No: AG006UOR MDL No:
Product Description
Catalog Number:
AG006UOR
Chemical Name:
5(4H)-Isoxazolone, 4-(5-oxo-3-phenyl-2-thiazolidinylidene)-3-phenyl-
CAS Number:
503444-00-6
Molecular Formula:
C18H12N2O3S
Molecular Weight:
336.3645
IUPAC Name:
4-(5-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-3-phenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C18H12N2O3S/c21-14-11-20(13-9-5-2-6-10-13)17(24-14)15-16(19-23-18(15)22)12-7-3-1-4-8-12/h1-10H,11H2
InChI Key:
NPOCITAHKZPRDN-UHFFFAOYSA-N
SMILES:
O=C1SC(=C2C(=O)ON=C2c2ccccc2)N(C1)c1ccccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.057g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.365g/mol
Monoisotopic Mass:
336.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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