Home Other Building Blocks 6H-Dibenz[b,d]azepin-6-one, 5,7-dihydro-

6H-Dibenz[b,d]azepin-6-one, 5,7-dihydro-

CAS No.:
20011-90-9
Catalog Number:
AG002CKA
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
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Product Description
Catalog Number:
AG002CKA
Chemical Name:
6H-Dibenz[b,d]azepin-6-one, 5,7-dihydro-
CAS Number:
20011-90-9
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD11847160
IUPAC Name:
5,7-dihydrobenzo[d][1]benzazepin-6-one
InChI:
InChI=1S/C14H11NO/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-14/h1-8H,9H2,(H,15,16)
InChI Key:
XENVIBFIIPSBJW-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2c2c(C1)cccc2
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
A multigram chemical synthesis of the gamma-secretase inhibitor LY411575 and its diastereoisomers. Bioorganic & medicinal chemistry letters 20071115
Properties