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84691-29-2 | 2H-1,4-Oxazin-2-one, 4-benzoyl-3,4-dihydro-6-methyl-3-(phenylmethyl)-
CAS No: 84691-29-2 Catalog No: AG004ZSA MDL No:
Product Description
Catalog Number:
AG004ZSA
Chemical Name:
2H-1,4-Oxazin-2-one, 4-benzoyl-3,4-dihydro-6-methyl-3-(phenylmethyl)-
CAS Number:
84691-29-2
Molecular Formula:
C19H17NO3
Molecular Weight:
307.3432
IUPAC Name:
4-benzoyl-3-benzyl-6-methyl-3H-1,4-oxazin-2-one
InChI:
InChI=1S/C19H17NO3/c1-14-13-20(18(21)16-10-6-3-7-11-16)17(19(22)23-14)12-15-8-4-2-5-9-15/h2-11,13,17H,12H2,1H3
InChI Key:
BVDVTRMMMKRKQX-UHFFFAOYSA-N
SMILES:
CC1=CN(C(C(=O)O1)Cc1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.349g/mol
Monoisotopic Mass:
307.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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