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87740-85-0 | 4H-1,3-Thiazine-5-carbonitrile, 4-oxo-2,6-diphenyl-
CAS No: 87740-85-0 Catalog No: AG004FME MDL No:
Product Description
Catalog Number:
AG004FME
Chemical Name:
4H-1,3-Thiazine-5-carbonitrile, 4-oxo-2,6-diphenyl-
CAS Number:
87740-85-0
Molecular Formula:
C17H10N2OS
Molecular Weight:
290.3391
IUPAC Name:
4-oxo-2,6-diphenyl-1,3-thiazine-5-carbonitrile
InChI:
InChI=1S/C17H10N2OS/c18-11-14-15(12-7-3-1-4-8-12)21-17(19-16(14)20)13-9-5-2-6-10-13/h1-10H
InChI Key:
HHUDPLSBKDGUOW-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)nc(sc1c1ccccc1)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.34g/mol
Monoisotopic Mass:
290.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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