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Home > Other Heterocycles > 93460-45-8
93460-45-8 | 3,5-Dioxa-2,7-diazabicyclo[2.2.1]heptan-6-one, 1-methyl-2,4-diphenyl-
CAS No: 93460-45-8 Catalog No: AG0062LV MDL No:
Product Description
Catalog Number:
AG0062LV
Chemical Name:
3,5-Dioxa-2,7-diazabicyclo[2.2.1]heptan-6-one, 1-methyl-2,4-diphenyl-
CAS Number:
93460-45-8
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
1-methyl-2,4-diphenyl-3,5-dioxa-2,7-diazabicyclo[2.2.1]heptan-6-one
InChI:
InChI=1S/C16H14N2O3/c1-15-14(19)20-16(17-15,12-8-4-2-5-9-12)21-18(15)13-10-6-3-7-11-13/h2-11,17H,1H3
InChI Key:
XPHYNQGEVDEWEI-UHFFFAOYSA-N
SMILES:
O=C1OC2(NC1(C)N(O2)c1ccccc1)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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