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91119-03-8 | Isothiazolo[5,4-d]pyrimidin-3(2H)-one, 4,6-diphenyl-
CAS No: 91119-03-8 Catalog No: AG006EAS MDL No:
Product Description
Catalog Number:
AG006EAS
Chemical Name:
Isothiazolo[5,4-d]pyrimidin-3(2H)-one, 4,6-diphenyl-
CAS Number:
91119-03-8
Molecular Formula:
C17H11N3OS
Molecular Weight:
305.3537
IUPAC Name:
4,6-diphenyl-[1,2]thiazolo[5,4-d]pyrimidin-3-one
InChI:
InChI=1S/C17H11N3OS/c21-16-13-14(11-7-3-1-4-8-11)18-15(19-17(13)22-20-16)12-9-5-2-6-10-12/h1-10H,(H,20,21)
InChI Key:
BMLUHXFONVJOLY-UHFFFAOYSA-N
SMILES:
O=c1[nH]sc2c1c(nc(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.355g/mol
Monoisotopic Mass:
305.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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