AC1NJ9XJ structure

AC1NJ9XJ

5,5-dimethyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one

Also Known As: 2,2-dimethyl-10-(2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy)-3,4,8,9-tetrahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-6(7H)-one|2,2-dimethyl-10-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4,8,9-tetrahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-6(7H)-one

CAS: 904208-75-9
Molecular Formula C29H32N2O5
Molecular Weight 488.2311 g/mol
LogP 4.1129
Topological Polar Surface Area 72.22 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 488.2311
Monoisotopic Mass 488.2311
Heavy Atoms 36
Complexity 1370.1604

Chemical Identifiers

CAS Number 904208-75-9
SMILES CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)N4CCN(CC4)C5=CC=CC=C5)C6=C(CCC6)C(=O)O3)C

Product Overview

AC1NJ9XJ (CAS 904208-75-9), with molecular formula C29H32N2O5 and molecular weight 488.2311 g/mol. IUPAC: 5,5-dimethyl-9-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-6,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,7,9,11(15)-tetraen-16-one.

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