Home Aminos 3-amino-4-(2-methoxyethyl)-4,9,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(16),2,6,10,12,14-hexaen-8-one

3-amino-4-(2-methoxyethyl)-4,9,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(16),2,6,10,12,14-hexaen-8-one

CAS No.:
565173-01-5
Catalog Number:
AG019XCG
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
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Product Description
Catalog Number:
AG019XCG
Chemical Name:
3-amino-4-(2-methoxyethyl)-4,9,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(16),2,6,10,12,14-hexaen-8-one
CAS Number:
565173-01-5
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
MDL Number:
MFCD03985206
IUPAC Name:
3-imino-4-(2-methoxyethyl)-4,9,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,6,10,12,14-pentaen-8-one
InChI:
InChI=1S/C16H16N4O2/c1-22-7-6-19-9-10-8-13(21)20-12-5-3-2-4-11(12)18-16(20)14(10)15(19)17/h2-5,8,17-18H,6-7,9H2,1H3
InChI Key:
RLGYAPWVHDDMHF-UHFFFAOYSA-N
SMILES:
COCCN1Cc2c(=C1N)c1nc3c(n1c(=O)c2)cccc3
Properties
Complexity:
595  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties