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847555-93-5 | 1,1-Diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H);-one
CAS No: 847555-93-5 Catalog No: AG004RW4 MDL No:MFCD16036059
Product Description
Catalog Number:
AG004RW4
Chemical Name:
1,1-Diphenyltetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H);-one
CAS Number:
847555-93-5
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
MDL Number:
MFCD16036059
IUPAC Name:
1,1-diphenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyrazin-3-one
InChI:
InChI=1S/C18H18N2O2/c21-17-20-12-11-19-13-16(20)18(22-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13H2
InChI Key:
UMLLCOYGUHIBSL-UHFFFAOYSA-N
SMILES:
O=C1OC(C2N1CCNC2)(c1ccccc1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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