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Home > Other Heterocycles > 72562-60-8
72562-60-8 | 3,6,9,12,15-PENTAOXA-21-AZABICYCLO[15.3.1]HENEICOSA-1(21),17,19-TRIENE-2,16-DIONE, 8,10-DIMETHYL-
CAS No: 72562-60-8 Catalog No: AG005G2Z MDL No:
Product Description
Catalog Number:
AG005G2Z
Chemical Name:
3,6,9,12,15-PENTAOXA-21-AZABICYCLO[15.3.1]HENEICOSA-1(21),17,19-TRIENE-2,16-DIONE, 8,10-DIMETHYL-
CAS Number:
72562-60-8
Molecular Formula:
C17H23NO7
Molecular Weight:
353.3670
IUPAC Name:
8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
InChI:
InChI=1S/C17H23NO7/c1-12-10-21-6-8-23-16(19)14-4-3-5-15(18-14)17(20)24-9-7-22-11-13(2)25-12/h3-5,12-13H,6-11H2,1-2H3
InChI Key:
DCHRBABQISIBTJ-UHFFFAOYSA-N
SMILES:
CC1COCCOC(=O)c2cccc(n2)C(=O)OCCOCC(O1)C
NSC Number:
297848
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.371g/mol
Monoisotopic Mass:
353.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Identification of HIV-1 integrase inhibitors based on a four-point pharmacophore. | Antiviral chemistry & chemotherapy 19981101 |
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