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868693-39-4 | 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-1-phenyl-5-(phenylmethyl)-
CAS No: 868693-39-4 Catalog No: AG004PHD MDL No:
Product Description
Catalog Number:
AG004PHD
Chemical Name:
1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-1-phenyl-5-(phenylmethyl)-
CAS Number:
868693-39-4
Molecular Formula:
C23H23NO
Molecular Weight:
329.4348
IUPAC Name:
5-benzyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
InChI:
InChI=1S/C23H23NO/c1-3-9-19(10-4-1)17-24-15-16-25-23(20-11-5-2-6-12-20)22-14-8-7-13-21(22)18-24/h1-14,23H,15-18H2
InChI Key:
KZNCMHUWTHJXGQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCOC(c2c(C1)cccc2)c1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.443g/mol
Monoisotopic Mass:
329.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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