Home Other Building Blocks 2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4,6,8,12(20),13,15,17-octaen-3-one

2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4,6,8,12(20),13,15,17-octaen-3-one

CAS No.:
138937-84-5
Catalog Number:
AG01BDLK
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
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Product Description
Catalog Number:
AG01BDLK
Chemical Name:
2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4,6,8,12(20),13,15,17-octaen-3-one
CAS Number:
138937-84-5
Molecular Formula:
C18H12N2O
Molecular Weight:
272.3007
MDL Number:
MFCD08247257
IUPAC Name:
2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,12,14,16(20),17-octaen-3-one
InChI:
InChI=1S/C18H12N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10,17,19H
InChI Key:
UKHJAICDZISVRB-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C2N1c1cccc3c1c(N2)ccc3
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.307g/mol
Monoisotopic Mass:
272.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties