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88690-84-0 | 2H-1,3-Oxazine, 3-(benzoyloxy)-2-[4-(dimethylamino)phenyl]tetrahydro-
CAS No: 88690-84-0 Catalog No: AG0047U0 MDL No:
Product Description
Catalog Number:
AG0047U0
Chemical Name:
2H-1,3-Oxazine, 3-(benzoyloxy)-2-[4-(dimethylamino)phenyl]tetrahydro-
CAS Number:
88690-84-0
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
[2-[4-(dimethylamino)phenyl]-1,3-oxazinan-3-yl] benzoate
InChI:
InChI=1S/C19H22N2O3/c1-20(2)17-11-9-15(10-12-17)18-21(13-6-14-23-18)24-19(22)16-7-4-3-5-8-16/h3-5,7-12,18H,6,13-14H2,1-2H3
InChI Key:
NLJGDOARUAKQOK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)ON1CCCOC1c1ccc(cc1)N(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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