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66042-99-7 | 4-Imidazolidinone, 1-(2-oxo-2H-1-benzopyran-6-yl)-3-phenyl-2-thioxo-
CAS No: 66042-99-7 Catalog No: AG006KYJ MDL No:
Product Description
Catalog Number:
AG006KYJ
Chemical Name:
4-Imidazolidinone, 1-(2-oxo-2H-1-benzopyran-6-yl)-3-phenyl-2-thioxo-
CAS Number:
66042-99-7
Molecular Formula:
C18H12N2O3S
Molecular Weight:
336.3645
IUPAC Name:
1-(2-oxochromen-6-yl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C18H12N2O3S/c21-16-11-19(18(24)20(16)13-4-2-1-3-5-13)14-7-8-15-12(10-14)6-9-17(22)23-15/h1-10H,11H2
InChI Key:
WWQVVCBPDLNPGL-UHFFFAOYSA-N
SMILES:
O=C1CN(C(=S)N1c1ccccc1)c1ccc2c(c1)ccc(=O)o2
Properties
Complexity:
585
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:
4
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:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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