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88168-96-1 | 4H-1,3-Thiazin-4-one, 2,3-dihydro-2-phenyl-6-(phenylmethyl)-
CAS No: 88168-96-1 Catalog No: AG004DAR MDL No:
Product Description
Catalog Number:
AG004DAR
Chemical Name:
4H-1,3-Thiazin-4-one, 2,3-dihydro-2-phenyl-6-(phenylmethyl)-
CAS Number:
88168-96-1
Molecular Formula:
C17H15NOS
Molecular Weight:
281.3721
IUPAC Name:
6-benzyl-2-phenyl-2,3-dihydro-1,3-thiazin-4-one
InChI:
InChI=1S/C17H15NOS/c19-16-12-15(11-13-7-3-1-4-8-13)20-17(18-16)14-9-5-2-6-10-14/h1-10,12,17H,11H2,(H,18,19)
InChI Key:
AKOIDGONXGFLAF-UHFFFAOYSA-N
SMILES:
O=C1C=C(Cc2ccccc2)SC(N1)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.373g/mol
Monoisotopic Mass:
281.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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