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Home > Other Heterocycles > 947617-93-8
947617-93-8 | 1'-BENZYL-7-METHYL-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4'-PIPERIDINE]
CAS No: 947617-93-8 Catalog No: AG00IIIR MDL No:
Product Description
Catalog Number:
AG00IIIR
Chemical Name:
1'-BENZYL-7-METHYL-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4'-PIPERIDINE]
CAS Number:
947617-93-8
IUPAC Name:
1'-benzyl-7-methylspiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]
InChI:
InChI=1S/C21H26N2O/c1-17-7-8-20-19(15-17)22-12-9-21(24-20)10-13-23(14-11-21)16-18-5-3-2-4-6-18/h2-8,15,22H,9-14,16H2,1H3
InChI Key:
UFCMNQDJUYQRPO-UHFFFAOYSA-N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.452g/mol
Monoisotopic Mass:
322.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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