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67744-72-3

67744-72-3 | 4-cyclohexyl-11-methyl-1,4,7-triazabicyclo[5.4.0]undecane-2,6-dione

CAS No: 67744-72-3 Catalog No: AG006JV8 MDL No:

Product Description

Catalog Number:
AG006JV8
Chemical Name:
4-cyclohexyl-11-methyl-1,4,7-triazabicyclo[5.4.0]undecane-2,6-dione
CAS Number:
67744-72-3
Molecular Formula:
C15H25N3O2
Molecular Weight:
279.3779
IUPAC Name:
3-cyclohexyl-7-methyl-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
InChI:
InChI=1S/C15H25N3O2/c1-12-6-5-9-17-14(19)10-16(11-15(20)18(12)17)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3
InChI Key:
DGDJIANJRRBKNA-UHFFFAOYSA-N
SMILES:
CC1CCCN2N1C(=O)CN(CC2=O)C1CCCCC1
NSC Number:
340320

Properties

Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.195g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.384g/mol
Monoisotopic Mass:
279.195g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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