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216507-85-6 | 3-phenyl-4H-1lambda6-pyrido[2,3-e][1,2,4]thiadiazine-1,1-dione
CAS No: 216507-85-6 Catalog No: AG019XG7 MDL No:MFCD13196152
Product Description
Catalog Number:
AG019XG7
Chemical Name:
3-phenyl-4H-1lambda6-pyrido[2,3-e][1,2,4]thiadiazine-1,1-dione
CAS Number:
216507-85-6
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
MDL Number:
MFCD13196152
IUPAC Name:
3-phenyl-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide
InChI:
InChI=1S/C12H9N3O2S/c16-18(17)10-7-4-8-13-12(10)14-11(15-18)9-5-2-1-3-6-9/h1-8H,(H,13,14,15)
InChI Key:
NEQNVSVRPNWIPU-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=C(Nc2c1cccn2)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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