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Home > Other Heterocycles > 86144-46-9
86144-46-9 | 4-(4-ethoxyphenyl)-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione
CAS No: 86144-46-9 Catalog No: AG004OSO MDL No:
Product Description
Catalog Number:
AG004OSO
Chemical Name:
4-(4-ethoxyphenyl)-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione
CAS Number:
86144-46-9
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
InChI:
InChI=1S/C15H19N3O3/c1-2-21-13-6-4-12(5-7-13)16-10-14(19)17-8-3-9-18(17)15(20)11-16/h4-7H,2-3,8-11H2,1H3
InChI Key:
OQNUWLCNRPTUJD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N1CC(=O)N2N(C(=O)C1)CCC2
UNII:
A4UN4XNY1I
NSC Number:
340340
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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