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1246455-97-9 | 1,4-Oxazepine, hexahydro-5-phenyl-4-(phenylmethyl)-
CAS No: 1246455-97-9 Catalog No: AG000MIW MDL No:
Product Description
Catalog Number:
AG000MIW
Chemical Name:
1,4-Oxazepine, hexahydro-5-phenyl-4-(phenylmethyl)-
CAS Number:
1246455-97-9
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
4-benzyl-5-phenyl-1,4-oxazepane
InChI:
InChI=1S/C18H21NO/c1-3-7-16(8-4-1)15-19-12-14-20-13-11-18(19)17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChI Key:
GKPQJIRRUNMGPP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCOCCC1c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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