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40430-00-0 | 3,12-DIAZABICYCLO[12.3.1]OCTADECA-1(18),14,16-TRIENE-2,13-DIONE
CAS No: 40430-00-0 Catalog No: AG0072X5 MDL No:
Product Description
Catalog Number:
AG0072X5
Chemical Name:
3,12-DIAZABICYCLO[12.3.1]OCTADECA-1(18),14,16-TRIENE-2,13-DIONE
CAS Number:
40430-00-0
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
IUPAC Name:
3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
InChI:
InChI=1S/C16H22N2O2/c19-15-13-8-7-9-14(12-13)16(20)18-11-6-4-2-1-3-5-10-17-15/h7-9,12H,1-6,10-11H2,(H,17,19)(H,18,20)
InChI Key:
VTSDMIFKZLXFQW-UHFFFAOYSA-N
SMILES:
O=C1NCCCCCCCCNC(=O)c2cc1ccc2
UNII:
842GMQ6BK7
NSC Number:
138480
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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