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26050-81-7

26050-81-7 | Methanone, bis(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-

CAS No: 26050-81-7 Catalog No: AG002RI7 MDL No:

Product Description

Catalog Number:
AG002RI7
Chemical Name:
Methanone, bis(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-
CAS Number:
26050-81-7
Molecular Formula:
C25H28N2O
Molecular Weight:
372.5026
IUPAC Name:
bis(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)methanone
InChI:
InChI=1S/C25H28N2O/c28-25(21-13-17-5-1-9-26-10-2-6-18(14-21)23(17)26)22-15-19-7-3-11-27-12-4-8-20(16-22)24(19)27/h13-16H,1-12H2
InChI Key:
UHTVJEXRPQDUCJ-UHFFFAOYSA-N
SMILES:
O=C(c1cc2CCCN3c2c(c1)CCC3)c1cc2CCCN3c2c(c1)CCC3
EC Number:
247-434-9

Properties

Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.22g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.512g/mol
Monoisotopic Mass:
372.22g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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