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Home > Other Heterocycles > 1262757-32-3
1262757-32-3 | Spiro[1,5-benzoxazepine-2(3H),4'-piperidin]-4(5H)-one, 1'-(phenylMethyl)-
CAS No: 1262757-32-3 Catalog No: AG000SH1 MDL No:
Product Description
Catalog Number:
AG000SH1
Chemical Name:
Spiro[1,5-benzoxazepine-2(3H),4'-piperidin]-4(5H)-one, 1'-(phenylMethyl)-
CAS Number:
1262757-32-3
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
1'-benzylspiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one
InChI:
InChI=1S/C20H22N2O2/c23-19-14-20(24-18-9-5-4-8-17(18)21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)
InChI Key:
QWJXQEHDMGBWSY-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2OC2(C1)CCN(CC2)Cc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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