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Home > Other Heterocycles > 54906-22-8
54906-22-8 | 1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
CAS No: 54906-22-8 Catalog No: AG00J4AV MDL No:MFCD00112071
Product Description
Catalog Number:
AG00J4AV
Chemical Name:
1'-benzylspiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one
CAS Number:
54906-22-8
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3743
MDL Number:
MFCD00112071
IUPAC Name:
1'-benzylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
InChI:
InChI=1S/C19H20N2O2/c22-18-16-8-4-5-9-17(16)23-19(20-18)10-12-21(13-11-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,22)
InChI Key:
NMFAHOKVZJFMHP-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCN(CC2)Cc2ccccc2)Oc2c1cccc2
NSC Number:
665008
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.381g/mol
Monoisotopic Mass:
308.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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