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148711-82-4 | 2H-1-Benzopyran-2-one, 7-methoxy-8-[3-(4-phenyl-1-piperazinyl)propoxy]-, hydrochloride (1:?)
CAS No: 148711-82-4 Catalog No: AG001L5E MDL No:
Product Description
Catalog Number:
AG001L5E
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-8-[3-(4-phenyl-1-piperazinyl)propoxy]-, hydrochloride (1:?)
CAS Number:
148711-82-4
Molecular Formula:
C23H27ClN2O4
Molecular Weight:
430.9245
IUPAC Name:
7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one;hydrochloride
InChI:
InChI=1S/C23H26N2O4.ClH/c1-27-20-10-8-18-9-11-21(26)29-22(18)23(20)28-17-5-12-24-13-15-25(16-14-24)19-6-3-2-4-7-19;/h2-4,6-11H,5,12-17H2,1H3;1H
InChI Key:
FJOYOZZHQQKIRJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OCCCN1CCN(CC1)c1ccccc1)oc(=O)cc2.Cl
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.166g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.929g/mol
Monoisotopic Mass:
430.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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